				60			
Bg, (1.51 THz), IR inactive jmolscript: load "" {2 3 1} spacegroup "x,y,z" unitcell {5.429  5.042  21.746  90.0 98.04  90.0}; select all;vibration period 1; vibration scale 0.4; vibration on;   vector scale 1; vector on; select molecule = 6;color yellow; select molecule = 20;color yellow;color yellow; select none 
H	2.484705	2.992689	1.272427		0.354983	-0.116433	-0.146578
H	3.005087	4.717905	2.953127		0.528765	-0.162577	-0.156877
H	1.502754	5.054272	4.881534		0.686221	-0.123149	-0.055739
H	-0.534262	3.677791	5.109302		0.675016	-0.085265	0.110864
H	-1.053100	1.966592	3.411871		0.505694	-0.065510	0.137978
H	-0.845147	-0.049669	0.734164		0.131769	0.008432	0.100423
H	1.423549	5.513689	9.493699		0.354983	0.116433	-0.146578
H	0.903167	7.238905	7.812999		0.528765	0.162577	-0.156877
H	2.405500	7.575272	5.884592		0.686221	0.123149	-0.055739
H	4.442516	6.198791	5.656824		0.675016	0.085265	0.110864
H	4.961354	4.487592	7.354254		0.505694	0.065510	0.137978
H	4.753401	2.471331	10.031962		0.131769	-0.008432	0.100423
H	-0.097197	2.049311	20.259824		-0.354983	0.116433	0.146578
H	-0.617578	0.324095	18.579125		-0.528765	0.162577	0.156877
H	0.884755	-0.012272	16.650718		-0.686221	0.123149	0.055739
H	2.921770	1.364209	16.422950		-0.675016	0.085265	-0.110864
H	3.440609	3.075408	18.120380		-0.505694	0.065510	-0.137978
H	3.232655	5.091669	20.798088		-0.131769	-0.008432	-0.100423
H	0.963960	-0.471689	12.038553		-0.354983	-0.116433	0.146578
H	1.484341	-2.196905	13.719252		-0.528765	-0.162577	0.156877
H	-0.017992	-2.533272	15.647659		-0.686221	-0.123149	0.055739
H	-2.055007	-1.156791	15.875427		-0.675016	-0.085265	-0.110864
H	-2.573845	0.554408	14.177997		-0.505694	-0.065510	-0.137978
H	-2.365892	2.570669	11.500289		-0.131769	0.008432	-0.100423
C	0.389497	1.347172	1.238643		0.250220	-0.033086	-0.021502
C	0.690090	2.369669	2.251434		0.411621	-0.089450	-0.009689
C	1.831836	3.146102	2.120754		0.425593	-0.122797	-0.092534
C	2.119465	4.108443	3.065740		0.521367	-0.139905	-0.101602
C	1.273545	4.297287	4.143064		0.610430	-0.120258	-0.036537
C	0.134756	3.524479	4.273721		0.604213	-0.097553	0.056070
C	-0.157764	2.564780	3.331535		0.512877	-0.085286	0.071563
C	3.518758	3.868172	9.527483		0.250220	0.033086	-0.021502
C	3.218165	4.890669	8.514692		0.411621	0.089450	-0.009689
C	2.076419	5.667102	8.645371		0.425593	0.122797	-0.092534
C	1.788789	6.629443	7.700385		0.521367	0.139905	-0.101602
C	2.634709	6.818287	6.623062		0.610430	0.120258	-0.036537
C	3.773499	6.045479	6.492404		0.604213	0.097553	0.056070
C	4.066019	5.085780	7.434591		0.512877	0.085286	0.071563
C	1.998012	3.694828	20.293609		-0.250220	0.033086	0.021502
C	1.697419	2.672331	19.280818		-0.411621	0.089450	0.009689
C	0.555673	1.895898	19.411497		-0.425593	0.122797	0.092534
C	0.268044	0.933557	18.466511		-0.521367	0.139905	0.101602
C	1.113963	0.744713	17.389188		-0.610430	0.120258	0.036537
C	2.252753	1.517521	17.258530		-0.604213	0.097553	-0.056070
C	2.545273	2.477220	18.200717		-0.512877	0.085286	-0.071563
C	-1.131249	1.173828	12.004768		-0.250220	-0.033086	0.021502
C	-0.830656	0.151331	13.017559		-0.411621	-0.089450	0.009689
C	0.311090	-0.625102	12.886880		-0.425593	-0.122797	0.092534
C	0.598719	-1.587443	13.831866		-0.521367	-0.139905	0.101602
C	-0.247200	-1.776287	14.909189		-0.610430	-0.120258	0.036537
C	-1.385990	-1.003479	15.039847		-0.604213	-0.097553	-0.056070
C	-1.678510	-0.043780	14.097660		-0.512877	-0.085286	-0.071563
O	1.120954	1.164263	0.269455		0.092792	-0.005589	-0.145134
O	-0.696374	0.665887	1.453492		0.262296	-0.016226	0.095738
O	2.787300	3.685263	10.496671		0.092792	0.005589	-0.145134
O	4.604628	3.186887	9.312634		0.262296	0.016226	0.095738
O	1.266554	3.877737	21.262797		-0.092792	0.005589	0.145134
O	3.083882	4.376113	20.078760		-0.262296	0.016226	-0.095738
O	-0.399791	1.356737	11.035580		-0.092792	-0.005589	0.145134
O	-2.217119	1.855113	12.219617		-0.262296	-0.016226	-0.095738
				60			
Au, (1.52 THz), intensity=5.5E-7							
H	2.484705	2.992689	1.272427		0.433819	0.010777	-0.116917
H	3.005087	4.717905	2.953127		0.401914	0.022183	-0.113843
H	1.502754	5.054272	4.881534		0.387024	0.008994	-0.124815
H	-0.534262	3.677791	5.109302		0.446837	-0.070034	-0.074387
H	-1.053100	1.966592	3.411871		0.501898	-0.111251	-0.055412
H	-0.845147	-0.049669	0.734164		0.421989	0.001666	-0.117390
H	1.423549	5.513689	9.493699		-0.433819	0.010777	0.116917
H	0.903167	7.238905	7.812999		-0.401914	0.022183	0.113843
H	2.405500	7.575272	5.884592		-0.387024	0.008994	0.124815
H	4.442516	6.198791	5.656824		-0.446837	-0.070034	0.074387
H	4.961354	4.487592	7.354254		-0.501898	-0.111251	0.055412
H	4.753401	2.471331	10.031962		-0.421989	0.001666	0.117390
H	-0.097197	2.049311	20.259824		0.433819	0.010777	-0.116917
H	-0.617578	0.324095	18.579125		0.401914	0.022183	-0.113843
H	0.884755	-0.012272	16.650718		0.387024	0.008994	-0.124815
H	2.921770	1.364209	16.422950		0.446837	-0.070034	-0.074387
H	3.440609	3.075408	18.120380		0.501898	-0.111251	-0.055412
H	3.232655	5.091669	20.798088		0.421989	0.001666	-0.117390
H	0.963960	-0.471689	12.038553		-0.433819	0.010777	0.116917
H	1.484341	-2.196905	13.719252		-0.401914	0.022183	0.113843
H	-0.017992	-2.533272	15.647659		-0.387024	0.008994	0.124815
H	-2.055007	-1.156791	15.875427		-0.446837	-0.070034	0.074387
H	-2.573845	0.554408	14.177997		-0.501898	-0.111251	0.055412
H	-2.365892	2.570669	11.500289		-0.421989	0.001666	0.117390
C	0.389497	1.347172	1.238643		0.430245	-0.005837	-0.115084
C	0.690090	2.369669	2.251434		0.464443	-0.042853	-0.086656
C	1.831836	3.146102	2.120754		0.444157	-0.013800	-0.104022
C	2.119465	4.108443	3.065740		0.418746	-0.001552	-0.107377
C	1.273545	4.297287	4.143064		0.414576	-0.012090	-0.109100
C	0.134756	3.524479	4.273721		0.444464	-0.053849	-0.081841
C	-0.157764	2.564780	3.331535		0.477727	-0.076684	-0.067872
C	3.518758	3.868172	9.527483		-0.430245	-0.005837	0.115084
C	3.218165	4.890669	8.514692		-0.464443	-0.042853	0.086656
C	2.076419	5.667102	8.645371		-0.444157	-0.013800	0.104022
C	1.788789	6.629443	7.700385		-0.418746	-0.001552	0.107377
C	2.634709	6.818287	6.623062		-0.414576	-0.012090	0.109100
C	3.773499	6.045479	6.492404		-0.444464	-0.053849	0.081841
C	4.066019	5.085780	7.434591		-0.477727	-0.076684	0.067872
C	1.998012	3.694828	20.293609		0.430245	-0.005837	-0.115084
C	1.697419	2.672331	19.280818		0.464443	-0.042853	-0.086656
C	0.555673	1.895898	19.411497		0.444157	-0.013800	-0.104022
C	0.268044	0.933557	18.466511		0.418746	-0.001552	-0.107377
C	1.113963	0.744713	17.389188		0.414576	-0.012090	-0.109100
C	2.252753	1.517521	17.258530		0.444464	-0.053849	-0.081841
C	2.545273	2.477220	18.200717		0.477727	-0.076684	-0.067872
C	-1.131249	1.173828	12.004768		-0.430245	-0.005837	0.115084
C	-0.830656	0.151331	13.017559		-0.464443	-0.042853	0.086656
C	0.311090	-0.625102	12.886880		-0.444157	-0.013800	0.104022
C	0.598719	-1.587443	13.831866		-0.418746	-0.001552	0.107377
C	-0.247200	-1.776287	14.909189		-0.414576	-0.012090	0.109100
C	-1.385990	-1.003479	15.039847		-0.444464	-0.053849	0.081841
C	-1.678510	-0.043780	14.097660		-0.477727	-0.076684	0.067872
O	1.120954	1.164263	0.269455		0.344813	0.083066	-0.194329
O	-0.696374	0.665887	1.453492		0.477089	-0.063091	-0.061373
O	2.787300	3.685263	10.496671		-0.344813	0.083066	0.194329
O	4.604628	3.186887	9.312634		-0.477089	-0.063091	0.061373
O	1.266554	3.877737	21.262797		0.344813	0.083066	-0.194329
O	3.083882	4.376113	20.078760		0.477089	-0.063091	-0.061373
O	-0.399791	1.356737	11.035580		-0.344813	0.083066	0.194329
O	-2.217119	1.855113	12.219617		-0.477089	-0.063091	0.061373
				60			
Ag, (1.81 THz), IR inactive							
H	2.484705	2.992689	1.272427		-0.299814	0.214879	-0.088665
H	3.005087	4.717905	2.953127		-0.353434	0.328278	-0.196550
H	1.502754	5.054272	4.881534		-0.395975	0.438992	-0.242426
H	-0.534262	3.677791	5.109302		-0.440972	0.501534	-0.265238
H	-1.053100	1.966592	3.411871		-0.390322	0.377787	-0.154307
H	-0.845147	-0.049669	0.734164		-0.100200	0.096040	-0.043144
H	1.423549	5.513689	9.493699		0.299814	0.214879	0.088665
H	0.903167	7.238905	7.812999		0.353434	0.328278	0.196550
H	2.405500	7.575272	5.884592		0.395975	0.438992	0.242426
H	4.442516	6.198791	5.656824		0.440972	0.501534	0.265238
H	4.961354	4.487592	7.354254		0.390322	0.377787	0.154307
H	4.753401	2.471331	10.031962		0.100200	0.096040	0.043144
H	-0.097197	2.049311	20.259824		0.299814	-0.214879	0.088665
H	-0.617578	0.324095	18.579125		0.353434	-0.328278	0.196550
H	0.884755	-0.012272	16.650718		0.395975	-0.438992	0.242426
H	2.921770	1.364209	16.422950		0.440972	-0.501534	0.265238
H	3.440609	3.075408	18.120380		0.390322	-0.377787	0.154307
H	3.232655	5.091669	20.798088		0.100200	-0.096040	0.043144
H	0.963960	-0.471689	12.038553		-0.299814	-0.214879	-0.088665
H	1.484341	-2.196905	13.719252		-0.353434	-0.328278	-0.196550
H	-0.017992	-2.533272	15.647659		-0.395975	-0.438992	-0.242426
H	-2.055007	-1.156791	15.875427		-0.440972	-0.501534	-0.265238
H	-2.573845	0.554408	14.177997		-0.390322	-0.377787	-0.154307
H	-2.365892	2.570669	11.500289		-0.100200	-0.096040	-0.043144
C	0.389497	1.347172	1.238643		-0.211108	0.149611	-0.038804
C	0.690090	2.369669	2.251434		-0.331790	0.273005	-0.117962
C	1.831836	3.146102	2.120754		-0.334652	0.278024	-0.126326
C	2.119465	4.108443	3.065740		-0.357382	0.337538	-0.180249
C	1.273545	4.297287	4.143064		-0.383716	0.401107	-0.211920
C	0.134756	3.524479	4.273721		-0.405455	0.430264	-0.224196
C	-0.157764	2.564780	3.331535		-0.382486	0.365305	-0.172182
C	3.518758	3.868172	9.527483		0.211108	0.149611	0.038804
C	3.218165	4.890669	8.514692		0.331790	0.273005	0.117962
C	2.076419	5.667102	8.645371		0.334652	0.278024	0.126326
C	1.788789	6.629443	7.700385		0.357382	0.337538	0.180249
C	2.634709	6.818287	6.623062		0.383716	0.401107	0.211920
C	3.773499	6.045479	6.492404		0.405455	0.430264	0.224196
C	4.066019	5.085780	7.434591		0.382486	0.365305	0.172182
C	1.998012	3.694828	20.293609		0.211108	-0.149611	0.038804
C	1.697419	2.672331	19.280818		0.331790	-0.273005	0.117962
C	0.555673	1.895898	19.411497		0.334652	-0.278024	0.126326
C	0.268044	0.933557	18.466511		0.357382	-0.337538	0.180249
C	1.113963	0.744713	17.389188		0.383716	-0.401107	0.211920
C	2.252753	1.517521	17.258530		0.405455	-0.430264	0.224196
C	2.545273	2.477220	18.200717		0.382486	-0.365305	0.172182
C	-1.131249	1.173828	12.004768		-0.211108	-0.149611	-0.038804
C	-0.830656	0.151331	13.017559		-0.331790	-0.273005	-0.117962
C	0.311090	-0.625102	12.886880		-0.334652	-0.278024	-0.126326
C	0.598719	-1.587443	13.831866		-0.357382	-0.337538	-0.180249
C	-0.247200	-1.776287	14.909189		-0.383716	-0.401107	-0.211920
C	-1.385990	-1.003479	15.039847		-0.405455	-0.430264	-0.224196
C	-1.678510	-0.043780	14.097660		-0.382486	-0.365305	-0.172182
O	1.120954	1.164263	0.269455		-0.092431	0.036421	0.075860
O	-0.696374	0.665887	1.453492		-0.229785	0.150072	-0.089890
O	2.787300	3.685263	10.496671		0.092431	0.036421	-0.075860
O	4.604628	3.186887	9.312634		0.229785	0.150072	0.089890
O	1.266554	3.877737	21.262797		0.092431	-0.036421	-0.075860
O	3.083882	4.376113	20.078760		0.229785	-0.150072	0.089890
O	-0.399791	1.356737	11.035580		-0.092431	-0.036421	0.075860
O	-2.217119	1.855113	12.219617		-0.229785	-0.150072	-0.089890
				60			
Ag, (1.87 THz), IR inactive							
H	2.484705	2.992689	1.272427		-0.266333	-0.023593	0.319681
H	3.005087	4.717905	2.953127		-0.372918	-0.167523	0.510432
H	1.502754	5.054272	4.881534		-0.450131	-0.429402	0.505852
H	-0.534262	3.677791	5.109302		-0.424463	-0.503662	0.270597
H	-1.053100	1.966592	3.411871		-0.337141	-0.306220	0.043807
H	-0.845147	-0.049669	0.734164		-0.115560	-0.079254	-0.099368
H	1.423549	5.513689	9.493699		0.266333	-0.023593	-0.319681
H	0.903167	7.238905	7.812999		0.372918	-0.167523	-0.510432
H	2.405500	7.575272	5.884592		0.450131	-0.429402	-0.505852
H	4.442516	6.198791	5.656824		0.424463	-0.503662	-0.270597
H	4.961354	4.487592	7.354254		0.337141	-0.306220	-0.043807
H	4.753401	2.471331	10.031962		0.115560	-0.079254	0.099368
H	-0.097197	2.049311	20.259824		0.266333	0.023593	-0.319681
H	-0.617578	0.324095	18.579125		0.372918	0.167523	-0.510432
H	0.884755	-0.012272	16.650718		0.450131	0.429402	-0.505852
H	2.921770	1.364209	16.422950		0.424463	0.503662	-0.270597
H	3.440609	3.075408	18.120380		0.337141	0.306220	-0.043807
H	3.232655	5.091669	20.798088		0.115560	0.079254	0.099368
H	0.963960	-0.471689	12.038553		-0.266333	0.023593	0.319681
H	1.484341	-2.196905	13.719252		-0.372918	0.167523	0.510432
H	-0.017992	-2.533272	15.647659		-0.450131	0.429402	0.505852
H	-2.055007	-1.156791	15.875427		-0.424463	0.503662	0.270597
H	-2.573845	0.554408	14.177997		-0.337141	0.306220	0.043807
H	-2.365892	2.570669	11.500289		-0.115560	0.079254	-0.099368
C	0.389497	1.347172	1.238643		-0.188664	-0.089235	0.097353
C	0.690090	2.369669	2.251434		-0.290757	-0.147076	0.178641
C	1.831836	3.146102	2.120754		-0.304254	-0.108289	0.307537
C	2.119465	4.108443	3.065740		-0.364783	-0.199611	0.416170
C	1.273545	4.297287	4.143064		-0.411977	-0.345413	0.407362
C	0.134756	3.524479	4.273721		-0.395415	-0.388189	0.276306
C	-0.157764	2.564780	3.331535		-0.346797	-0.277791	0.152095
C	3.518758	3.868172	9.527483		0.188664	-0.089235	-0.097353
C	3.218165	4.890669	8.514692		0.290757	-0.147076	-0.178641
C	2.076419	5.667102	8.645371		0.304254	-0.108289	-0.307537
C	1.788789	6.629443	7.700385		0.364783	-0.199611	-0.416170
C	2.634709	6.818287	6.623062		0.411977	-0.345413	-0.407362
C	3.773499	6.045479	6.492404		0.395415	-0.388189	-0.276306
C	4.066019	5.085780	7.434591		0.346797	-0.277791	-0.152095
C	1.998012	3.694828	20.293609		0.188664	0.089235	-0.097353
C	1.697419	2.672331	19.280818		0.290757	0.147076	-0.178641
C	0.555673	1.895898	19.411497		0.304254	0.108289	-0.307537
C	0.268044	0.933557	18.466511		0.364783	0.199611	-0.416170
C	1.113963	0.744713	17.389188		0.411977	0.345413	-0.407362
C	2.252753	1.517521	17.258530		0.395415	0.388189	-0.276306
C	2.545273	2.477220	18.200717		0.346797	0.277791	-0.152095
C	-1.131249	1.173828	12.004768		-0.188664	0.089235	0.097353
C	-0.830656	0.151331	13.017559		-0.290757	0.147076	0.178641
C	0.311090	-0.625102	12.886880		-0.304254	0.108289	0.307537
C	0.598719	-1.587443	13.831866		-0.364783	0.199611	0.416170
C	-0.247200	-1.776287	14.909189		-0.411977	0.345413	0.407362
C	-1.385990	-1.003479	15.039847		-0.395415	0.388189	0.276306
C	-1.678510	-0.043780	14.097660		-0.346797	0.277791	0.152095
O	1.120954	1.164263	0.269455		-0.067867	-0.025816	0.174756
O	-0.696374	0.665887	1.453492		-0.202493	-0.104769	-0.043093
O	2.787300	3.685263	10.496671		0.067867	-0.025816	-0.174756
O	4.604628	3.186887	9.312634		0.202493	-0.104769	0.043093
O	1.266554	3.877737	21.262797		0.067867	0.025816	-0.174756
O	3.083882	4.376113	20.078760		0.202493	0.104769	0.043093
O	-0.399791	1.356737	11.035580		-0.067867	0.025816	0.174756
O	-2.217119	1.855113	12.219617		-0.202493	0.104769	-0.043093
				60			
Au, (2.00 THz), intensity=0.001							
H	2.484705	2.992689	1.272427		0.345258	-0.303060	0.650764
H	3.005087	4.717905	2.953127		0.224651	-0.218822	0.605408
H	1.502754	5.054272	4.881534		-0.052536	0.056009	0.336904
H	-0.534262	3.677791	5.109302		-0.181507	0.214156	0.139016
H	-1.053100	1.966592	3.411871		-0.054273	0.135441	0.185382
H	-0.845147	-0.049669	0.734164		0.137522	-0.039531	0.352054
H	1.423549	5.513689	9.493699		-0.345258	-0.303060	-0.650764
H	0.903167	7.238905	7.812999		-0.224651	-0.218822	-0.605408
H	2.405500	7.575272	5.884592		0.052536	0.056009	-0.336904
H	4.442516	6.198791	5.656824		0.181507	0.214156	-0.139016
H	4.961354	4.487592	7.354254		0.054273	0.135441	-0.185382
H	4.753401	2.471331	10.031962		-0.137522	-0.039531	-0.352054
H	-0.097197	2.049311	20.259824		0.345258	-0.303060	0.650764
H	-0.617578	0.324095	18.579125		0.224651	-0.218822	0.605408
H	0.884755	-0.012272	16.650718		-0.052536	0.056009	0.336904
H	2.921770	1.364209	16.422950		-0.181507	0.214156	0.139016
H	3.440609	3.075408	18.120380		-0.054273	0.135441	0.185382
H	3.232655	5.091669	20.798088		0.137522	-0.039531	0.352054
H	0.963960	-0.471689	12.038553		-0.345258	-0.303060	-0.650764
H	1.484341	-2.196905	13.719252		-0.224651	-0.218822	-0.605408
H	-0.017992	-2.533272	15.647659		0.052536	0.056009	-0.336904
H	-2.055007	-1.156791	15.875427		0.181507	0.214156	-0.139016
H	-2.573845	0.554408	14.177997		0.054273	0.135441	-0.185382
H	-2.365892	2.570669	11.500289		-0.137522	-0.039531	-0.352054
C	0.389497	1.347172	1.238643		0.162506	-0.077502	0.410069
C	0.690090	2.369669	2.251434		0.148628	-0.086777	0.423444
C	1.831836	3.146102	2.120754		0.236260	-0.197680	0.547407
C	2.119465	4.108443	3.065740		0.164593	-0.147389	0.519041
C	1.273545	4.297287	4.143064		0.007832	0.009685	0.368297
C	0.134756	3.524479	4.273721		-0.062878	0.099844	0.257801
C	-0.157764	2.564780	3.331535		0.009467	0.052081	0.286159
C	3.518758	3.868172	9.527483		-0.162506	-0.077502	-0.410069
C	3.218165	4.890669	8.514692		-0.148628	-0.086777	-0.423444
C	2.076419	5.667102	8.645371		-0.236260	-0.197680	-0.547407
C	1.788789	6.629443	7.700385		-0.164593	-0.147389	-0.519041
C	2.634709	6.818287	6.623062		-0.007832	0.009685	-0.368297
C	3.773499	6.045479	6.492404		0.062878	0.099844	-0.257801
C	4.066019	5.085780	7.434591		-0.009467	0.052081	-0.286159
C	1.998012	3.694828	20.293609		0.162506	-0.077502	0.410069
C	1.697419	2.672331	19.280818		0.148628	-0.086777	0.423444
C	0.555673	1.895898	19.411497		0.236260	-0.197680	0.547407
C	0.268044	0.933557	18.466511		0.164593	-0.147389	0.519041
C	1.113963	0.744713	17.389188		0.007832	0.009685	0.368297
C	2.252753	1.517521	17.258530		-0.062878	0.099844	0.257801
C	2.545273	2.477220	18.200717		0.009467	0.052081	0.286159
C	-1.131249	1.173828	12.004768		-0.162506	-0.077502	-0.410069
C	-0.830656	0.151331	13.017559		-0.148628	-0.086777	-0.423444
C	0.311090	-0.625102	12.886880		-0.236260	-0.197680	-0.547407
C	0.598719	-1.587443	13.831866		-0.164593	-0.147389	-0.519041
C	-0.247200	-1.776287	14.909189		-0.007832	0.009685	-0.368297
C	-1.385990	-1.003479	15.039847		0.062878	0.099844	-0.257801
C	-1.678510	-0.043780	14.097660		-0.009467	0.052081	-0.286159
O	1.120954	1.164263	0.269455		0.228775	-0.135518	0.473800
O	-0.696374	0.665887	1.453492		0.087949	0.014564	0.309044
O	2.787300	3.685263	10.496671		-0.228775	-0.135518	-0.473800
O	4.604628	3.186887	9.312634		-0.087949	0.014564	-0.309044
O	1.266554	3.877737	21.262797		0.228775	-0.135518	0.473800
O	3.083882	4.376113	20.078760		0.087949	0.014564	0.309044
O	-0.399791	1.356737	11.035580		-0.228775	-0.135518	-0.473800
O	-2.217119	1.855113	12.219617		-0.087949	0.014564	-0.309044
				60			
Bg, (2.01 THz), IR inactive							
H	2.484705	2.992689	1.272427		0.050365	-0.295471	0.458293
H	3.005087	4.717905	2.953127		0.038191	-0.412849	0.588467
H	1.502754	5.054272	4.881534		-0.070232	-0.436614	0.515939
H	-0.534262	3.677791	5.109302		-0.112219	-0.394684	0.347847
H	-1.053100	1.966592	3.411871		-0.086203	-0.291963	0.218340
H	-0.845147	-0.049669	0.734164		-0.056331	-0.037668	-0.020474
H	1.423549	5.513689	9.493699		0.050365	0.295471	0.458293
H	0.903167	7.238905	7.812999		0.038191	0.412849	0.588467
H	2.405500	7.575272	5.884592		-0.070232	0.436614	0.515939
H	4.442516	6.198791	5.656824		-0.112219	0.394684	0.347847
H	4.961354	4.487592	7.354254		-0.086203	0.291963	0.218340
H	4.753401	2.471331	10.031962		-0.056331	0.037668	-0.020474
H	-0.097197	2.049311	20.259824		-0.050365	0.295471	-0.458293
H	-0.617578	0.324095	18.579125		-0.038191	0.412849	-0.588467
H	0.884755	-0.012272	16.650718		0.070232	0.436614	-0.515939
H	2.921770	1.364209	16.422950		0.112219	0.394684	-0.347847
H	3.440609	3.075408	18.120380		0.086203	0.291963	-0.218340
H	3.232655	5.091669	20.798088		0.056331	0.037668	0.020474
H	0.963960	-0.471689	12.038553		-0.050365	-0.295471	-0.458293
H	1.484341	-2.196905	13.719252		-0.038191	-0.412849	-0.588467
H	-0.017992	-2.533272	15.647659		0.070232	-0.436614	-0.515939
H	-2.055007	-1.156791	15.875427		0.112219	-0.394684	-0.347847
H	-2.573845	0.554408	14.177997		0.086203	-0.291963	-0.218340
H	-2.365892	2.570669	11.500289		0.056331	-0.037668	0.020474
C	0.389497	1.347172	1.238643		-0.020901	-0.163733	0.199750
C	0.690090	2.369669	2.251434		-0.020842	-0.277236	0.322830
C	1.831836	3.146102	2.120754		0.020635	-0.319057	0.441001
C	2.119465	4.108443	3.065740		0.008145	-0.385012	0.511929
C	1.273545	4.297287	4.143064		-0.049212	-0.404109	0.472184
C	0.134756	3.524479	4.273721		-0.076173	-0.380844	0.372408
C	-0.157764	2.564780	3.331535		-0.061390	-0.317516	0.298800
C	3.518758	3.868172	9.527483		-0.020901	0.163733	0.199750
C	3.218165	4.890669	8.514692		-0.020842	0.277236	0.322830
C	2.076419	5.667102	8.645371		0.020635	0.319057	0.441001
C	1.788789	6.629443	7.700385		0.008145	0.385012	0.511929
C	2.634709	6.818287	6.623062		-0.049212	0.404109	0.472184
C	3.773499	6.045479	6.492404		-0.076173	0.380844	0.372408
C	4.066019	5.085780	7.434591		-0.061390	0.317516	0.298800
C	1.998012	3.694828	20.293609		0.020901	0.163733	-0.199750
C	1.697419	2.672331	19.280818		0.020842	0.277236	-0.322830
C	0.555673	1.895898	19.411497		-0.020635	0.319057	-0.441001
C	0.268044	0.933557	18.466511		-0.008145	0.385012	-0.511929
C	1.113963	0.744713	17.389188		0.049212	0.404109	-0.472184
C	2.252753	1.517521	17.258530		0.076173	0.380844	-0.372408
C	2.545273	2.477220	18.200717		0.061390	0.317516	-0.298800
C	-1.131249	1.173828	12.004768		0.020901	-0.163733	-0.199750
C	-0.830656	0.151331	13.017559		0.020842	-0.277236	-0.322830
C	0.311090	-0.625102	12.886880		-0.020635	-0.319057	-0.441001
C	0.598719	-1.587443	13.831866		-0.008145	-0.385012	-0.511929
C	-0.247200	-1.776287	14.909189		0.049212	-0.404109	-0.472184
C	-1.385990	-1.003479	15.039847		0.076173	-0.380844	-0.372408
C	-1.678510	-0.043780	14.097660		0.061390	-0.317516	-0.298800
O	1.120954	1.164263	0.269455		0.013386	-0.080354	0.213754
O	-0.696374	0.665887	1.453492		-0.063269	-0.141844	0.077190
O	2.787300	3.685263	10.496671		0.013386	0.080354	0.213754
O	4.604628	3.186887	9.312634		-0.063269	0.141844	0.077190
O	1.266554	3.877737	21.262797		-0.013386	0.080354	-0.213754
O	3.083882	4.376113	20.078760		0.063269	0.141844	-0.077190
O	-0.399791	1.356737	11.035580		-0.013386	-0.080354	-0.213754
O	-2.217119	1.855113	12.219617		0.063269	-0.141844	-0.077190
				60			
Bu, (2.11 THz), intensity=0.008							
H	2.484705	2.992689	1.272427		-0.134979	0.610723	-0.097530
H	3.005087	4.717905	2.953127		-0.144257	0.617510	-0.103447
H	1.502754	5.054272	4.881534		-0.019296	0.440649	0.027797
H	-0.534262	3.677791	5.109302		0.069816	0.316962	0.113808
H	-1.053100	1.966592	3.411871		0.063810	0.339142	0.111104
H	-0.845147	-0.049669	0.734164		0.053473	0.361877	0.094858
H	1.423549	5.513689	9.493699		-0.134979	-0.610723	-0.097530
H	0.903167	7.238905	7.812999		-0.144257	-0.617510	-0.103447
H	2.405500	7.575272	5.884592		-0.019296	-0.440649	0.027797
H	4.442516	6.198791	5.656824		0.069816	-0.316962	0.113808
H	4.961354	4.487592	7.354254		0.063810	-0.339142	0.111104
H	4.753401	2.471331	10.031962		0.053473	-0.361877	0.094858
H	-0.097197	2.049311	20.259824		-0.134979	0.610723	-0.097530
H	-0.617578	0.324095	18.579125		-0.144257	0.617510	-0.103447
H	0.884755	-0.012272	16.650718		-0.019296	0.440649	0.027797
H	2.921770	1.364209	16.422950		0.069816	0.316962	0.113808
H	3.440609	3.075408	18.120380		0.063810	0.339142	0.111104
H	3.232655	5.091669	20.798088		0.053473	0.361877	0.094858
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H	1.484341	-2.196905	13.719252		-0.144257	-0.617510	-0.103447
H	-0.017992	-2.533272	15.647659		-0.019296	-0.440649	0.027797
H	-2.055007	-1.156791	15.875427		0.069816	-0.316962	0.113808
H	-2.573845	0.554408	14.177997		0.063810	-0.339142	0.111104
H	-2.365892	2.570669	11.500289		0.053473	-0.361877	0.094858
C	0.389497	1.347172	1.238643		0.015682	0.406824	0.053926
C	0.690090	2.369669	2.251434		-0.031466	0.468738	0.006705
C	1.831836	3.146102	2.120754		-0.098505	0.558552	-0.059883
C	2.119465	4.108443	3.065740		-0.097462	0.557448	-0.058172
C	1.273545	4.297287	4.143064		-0.029519	0.463435	0.011805
C	0.134756	3.524479	4.273721		0.024662	0.392444	0.065664
C	-0.157764	2.564780	3.331535		0.018586	0.400317	0.059818
C	3.518758	3.868172	9.527483		0.015682	-0.406824	0.053926
C	3.218165	4.890669	8.514692		-0.031466	-0.468738	0.006705
C	2.076419	5.667102	8.645371		-0.098505	-0.558552	-0.059883
C	1.788789	6.629443	7.700385		-0.097462	-0.557448	-0.058172
C	2.634709	6.818287	6.623062		-0.029519	-0.463435	0.011805
C	3.773499	6.045479	6.492404		0.024662	-0.392444	0.065664
C	4.066019	5.085780	7.434591		0.018586	-0.400317	0.059818
C	1.998012	3.694828	20.293609		0.015682	0.406824	0.053926
C	1.697419	2.672331	19.280818		-0.031466	0.468738	0.006705
C	0.555673	1.895898	19.411497		-0.098505	0.558552	-0.059883
C	0.268044	0.933557	18.466511		-0.097462	0.557448	-0.058172
C	1.113963	0.744713	17.389188		-0.029519	0.463435	0.011805
C	2.252753	1.517521	17.258530		0.024662	0.392444	0.065664
C	2.545273	2.477220	18.200717		0.018586	0.400317	0.059818
C	-1.131249	1.173828	12.004768		0.015682	-0.406824	0.053926
C	-0.830656	0.151331	13.017559		-0.031466	-0.468738	0.006705
C	0.311090	-0.625102	12.886880		-0.098505	-0.558552	-0.059883
C	0.598719	-1.587443	13.831866		-0.097462	-0.557448	-0.058172
C	-0.247200	-1.776287	14.909189		-0.029519	-0.463435	0.011805
C	-1.385990	-1.003479	15.039847		0.024662	-0.392444	0.065664
C	-1.678510	-0.043780	14.097660		0.018586	-0.400317	0.059818
O	1.120954	1.164263	0.269455		0.056941	0.340824	0.095839
O	-0.696374	0.665887	1.453492		0.022762	0.396919	0.060162
O	2.787300	3.685263	10.496671		0.056941	-0.340824	0.095839
O	4.604628	3.186887	9.312634		0.022762	-0.396919	0.060162
O	1.266554	3.877737	21.262797		0.056941	0.340824	0.095839
O	3.083882	4.376113	20.078760		0.022762	0.396919	0.060162
O	-0.399791	1.356737	11.035580		0.056941	-0.340824	0.095839
O	-2.217119	1.855113	12.219617		0.022762	-0.396919	0.060162
				60			
Bu, (2.62 THz), intensity=0.167							
H	2.484705	2.992689	1.272427		-0.520387	0.224265	-0.554696
H	3.005087	4.717905	2.953127		-0.009464	0.010061	-0.495218
H	1.502754	5.054272	4.881534		0.654511	-0.335679	0.074424
H	-0.534262	3.677791	5.109302		0.785247	-0.425295	0.584708
H	-1.053100	1.966592	3.411871		0.237987	-0.211688	0.502294
H	-0.845147	-0.049669	0.734164		-0.450676	0.196855	-0.057059
H	1.423549	5.513689	9.493699		-0.520387	-0.224265	-0.554696
H	0.903167	7.238905	7.812999		-0.009464	-0.010061	-0.495218
H	2.405500	7.575272	5.884592		0.654511	0.335679	0.074424
H	4.442516	6.198791	5.656824		0.785247	0.425295	0.584708
H	4.961354	4.487592	7.354254		0.237987	0.211688	0.502294
H	4.753401	2.471331	10.031962		-0.450676	-0.196855	-0.057059
H	-0.097197	2.049311	20.259824		-0.520387	0.224265	-0.554696
H	-0.617578	0.324095	18.579125		-0.009464	0.010061	-0.495218
H	0.884755	-0.012272	16.650718		0.654511	-0.335679	0.074424
H	2.921770	1.364209	16.422950		0.785247	-0.425295	0.584708
H	3.440609	3.075408	18.120380		0.237987	-0.211688	0.502294
H	3.232655	5.091669	20.798088		-0.450676	0.196855	-0.057059
H	0.963960	-0.471689	12.038553		-0.520387	-0.224265	-0.554696
H	1.484341	-2.196905	13.719252		-0.009464	-0.010061	-0.495218
H	-0.017992	-2.533272	15.647659		0.654511	0.335679	0.074424
H	-2.055007	-1.156791	15.875427		0.785247	0.425295	0.584708
H	-2.573845	0.554408	14.177997		0.237987	0.211688	0.502294
H	-2.365892	2.570669	11.500289		-0.450676	-0.196855	-0.057059
C	0.389497	1.347172	1.238643		-0.374901	0.118881	-0.072245
C	0.690090	2.369669	2.251434		-0.177328	0.030658	-0.045232
C	1.831836	3.146102	2.120754		-0.250471	0.095920	-0.325126
C	2.119465	4.108443	3.065740		0.046766	-0.032087	-0.289712
C	1.273545	4.297287	4.143064		0.419173	-0.229790	0.035758
C	0.134756	3.524479	4.273721		0.488432	-0.289266	0.320383
C	-0.157764	2.564780	3.331535		0.182919	-0.156764	0.272694
C	3.518758	3.868172	9.527483		-0.374901	-0.118881	-0.072245
C	3.218165	4.890669	8.514692		-0.177328	-0.030658	-0.045232
C	2.076419	5.667102	8.645371		-0.250471	-0.095920	-0.325126
C	1.788789	6.629443	7.700385		0.046766	0.032087	-0.289712
C	2.634709	6.818287	6.623062		0.419173	0.229790	0.035758
C	3.773499	6.045479	6.492404		0.488432	0.289266	0.320383
C	4.066019	5.085780	7.434591		0.182919	0.156764	0.272694
C	1.998012	3.694828	20.293609		-0.374901	0.118881	-0.072245
C	1.697419	2.672331	19.280818		-0.177328	0.030658	-0.045232
C	0.555673	1.895898	19.411497		-0.250471	0.095920	-0.325126
C	0.268044	0.933557	18.466511		0.046766	-0.032087	-0.289712
C	1.113963	0.744713	17.389188		0.419173	-0.229790	0.035758
C	2.252753	1.517521	17.258530		0.488432	-0.289266	0.320383
C	2.545273	2.477220	18.200717		0.182919	-0.156764	0.272694
C	-1.131249	1.173828	12.004768		-0.374901	-0.118881	-0.072245
C	-0.830656	0.151331	13.017559		-0.177328	-0.030658	-0.045232
C	0.311090	-0.625102	12.886880		-0.250471	-0.095920	-0.325126
C	0.598719	-1.587443	13.831866		0.046766	0.032087	-0.289712
C	-0.247200	-1.776287	14.909189		0.419173	0.229790	0.035758
C	-1.385990	-1.003479	15.039847		0.488432	0.289266	0.320383
C	-1.678510	-0.043780	14.097660		0.182919	0.156764	0.272694
O	1.120954	1.164263	0.269455		-0.455207	0.134024	-0.137080
O	-0.696374	0.665887	1.453492		-0.398419	0.154866	-0.036571
O	2.787300	3.685263	10.496671		-0.455207	-0.134024	-0.137080
O	4.604628	3.186887	9.312634		-0.398419	-0.154866	-0.036571
O	1.266554	3.877737	21.262797		-0.455207	0.134024	-0.137080
O	3.083882	4.376113	20.078760		-0.398419	0.154866	-0.036571
O	-0.399791	1.356737	11.035580		-0.455207	-0.134024	-0.137080
O	-2.217119	1.855113	12.219617		-0.398419	-0.154866	-0.036571
				60			
Au, (2.72 THz), intensity=0.019							
H	2.484705	2.992689	1.272427		0.316261	-0.783886	0.162220
H	3.005087	4.717905	2.953127		0.270992	-0.468706	-0.145248
H	1.502754	5.054272	4.881534		-0.118036	0.339202	-0.598654
H	-0.534262	3.677791	5.109302		-0.443834	0.810846	-0.727875
H	-1.053100	1.966592	3.411871		-0.335502	0.388167	-0.341956
H	-0.845147	-0.049669	0.734164		0.030066	-0.337013	0.053718
H	1.423549	5.513689	9.493699		-0.316261	-0.783886	-0.162220
H	0.903167	7.238905	7.812999		-0.270992	-0.468706	0.145248
H	2.405500	7.575272	5.884592		0.118036	0.339202	0.598654
H	4.442516	6.198791	5.656824		0.443834	0.810846	0.727875
H	4.961354	4.487592	7.354254		0.335502	0.388167	0.341956
H	4.753401	2.471331	10.031962		-0.030066	-0.337013	-0.053718
H	-0.097197	2.049311	20.259824		0.316261	-0.783886	0.162220
H	-0.617578	0.324095	18.579125		0.270992	-0.468706	-0.145248
H	0.884755	-0.012272	16.650718		-0.118036	0.339202	-0.598654
H	2.921770	1.364209	16.422950		-0.443834	0.810846	-0.727875
H	3.440609	3.075408	18.120380		-0.335502	0.388167	-0.341956
H	3.232655	5.091669	20.798088		0.030066	-0.337013	0.053718
H	0.963960	-0.471689	12.038553		-0.316261	-0.783886	-0.162220
H	1.484341	-2.196905	13.719252		-0.270992	-0.468706	0.145248
H	-0.017992	-2.533272	15.647659		0.118036	0.339202	0.598654
H	-2.055007	-1.156791	15.875427		0.443834	0.810846	0.727875
H	-2.573845	0.554408	14.177997		0.335502	0.388167	0.341956
H	-2.365892	2.570669	11.500289		-0.030066	-0.337013	-0.053718
C	0.389497	1.347172	1.238643		0.025226	-0.326895	0.023881
C	0.690090	2.369669	2.251434		0.001655	-0.226842	-0.070289
C	1.831836	3.146102	2.120754		0.175666	-0.472329	-0.003542
C	2.119465	4.108443	3.065740		0.143499	-0.287252	-0.184359
C	1.273545	4.297287	4.143064		-0.074747	0.165168	-0.437762
C	0.134756	3.524479	4.273721		-0.257138	0.420827	-0.510347
C	-0.157764	2.564780	3.331535		-0.204857	0.198499	-0.307294
C	3.518758	3.868172	9.527483		-0.025226	-0.326895	-0.023881
C	3.218165	4.890669	8.514692		-0.001655	-0.226842	0.070289
C	2.076419	5.667102	8.645371		-0.175666	-0.472329	0.003542
C	1.788789	6.629443	7.700385		-0.143499	-0.287252	0.184359
C	2.634709	6.818287	6.623062		0.074747	0.165168	0.437762
C	3.773499	6.045479	6.492404		0.257138	0.420827	0.510347
C	4.066019	5.085780	7.434591		0.204857	0.198499	0.307294
C	1.998012	3.694828	20.293609		0.025226	-0.326895	0.023881
C	1.697419	2.672331	19.280818		0.001655	-0.226842	-0.070289
C	0.555673	1.895898	19.411497		0.175666	-0.472329	-0.003542
C	0.268044	0.933557	18.466511		0.143499	-0.287252	-0.184359
C	1.113963	0.744713	17.389188		-0.074747	0.165168	-0.437762
C	2.252753	1.517521	17.258530		-0.257138	0.420827	-0.510347
C	2.545273	2.477220	18.200717		-0.204857	0.198499	-0.307294
C	-1.131249	1.173828	12.004768		-0.025226	-0.326895	-0.023881
C	-0.830656	0.151331	13.017559		-0.001655	-0.226842	0.070289
C	0.311090	-0.625102	12.886880		-0.175666	-0.472329	0.003542
C	0.598719	-1.587443	13.831866		-0.143499	-0.287252	0.184359
C	-0.247200	-1.776287	14.909189		0.074747	0.165168	0.437762
C	-1.385990	-1.003479	15.039847		0.257138	0.420827	0.510347
C	-1.678510	-0.043780	14.097660		0.204857	0.198499	0.307294
O	1.120954	1.164263	0.269455		0.063443	-0.396461	0.068416
O	-0.696374	0.665887	1.453492		0.001395	-0.291719	0.014451
O	2.787300	3.685263	10.496671		-0.063443	-0.396461	-0.068416
O	4.604628	3.186887	9.312634		-0.001395	-0.291719	-0.014451
O	1.266554	3.877737	21.262797		0.063443	-0.396461	0.068416
O	3.083882	4.376113	20.078760		0.001395	-0.291719	0.014451
O	-0.399791	1.356737	11.035580		-0.063443	-0.396461	-0.068416
O	-2.217119	1.855113	12.219617		-0.001395	-0.291719	-0.014451
				60			
Ag, (2.78 THz), IR inactive							
H	2.484705	2.992689	1.272427		0.572517	-0.833707	0.640853
H	3.005087	4.717905	2.953127		0.495229	-0.622482	0.460173
H	1.502754	5.054272	4.881534		-0.088364	0.257567	-0.155791
H	-0.534262	3.677791	5.109302		-0.549459	0.882907	-0.554399
H	-1.053100	1.966592	3.411871		-0.406312	0.587373	-0.300785
H	-0.845147	-0.049669	0.734164		-0.100925	0.121963	-0.045228
H	1.423549	5.513689	9.493699		-0.572517	-0.833707	-0.640853
H	0.903167	7.238905	7.812999		-0.495229	-0.622482	-0.460173
H	2.405500	7.575272	5.884592		0.088364	0.257567	0.155791
H	4.442516	6.198791	5.656824		0.549459	0.882907	0.554399
H	4.961354	4.487592	7.354254		0.406312	0.587373	0.300785
H	4.753401	2.471331	10.031962		0.100925	0.121963	0.045228
H	-0.097197	2.049311	20.259824		-0.572517	0.833707	-0.640853
H	-0.617578	0.324095	18.579125		-0.495229	0.622482	-0.460173
H	0.884755	-0.012272	16.650718		0.088364	-0.257567	0.155791
H	2.921770	1.364209	16.422950		0.549459	-0.882907	0.554399
H	3.440609	3.075408	18.120380		0.406312	-0.587373	0.300785
H	3.232655	5.091669	20.798088		0.100925	-0.121963	0.045228
H	0.963960	-0.471689	12.038553		0.572517	0.833707	0.640853
H	1.484341	-2.196905	13.719252		0.495229	0.622482	0.460173
H	-0.017992	-2.533272	15.647659		-0.088364	-0.257567	-0.155791
H	-2.055007	-1.156791	15.875427		-0.549459	-0.882907	-0.554399
H	-2.573845	0.554408	14.177997		-0.406312	-0.587373	-0.300785
H	-2.365892	2.570669	11.500289		-0.100925	-0.121963	-0.045228
C	0.389497	1.347172	1.238643		0.078113	-0.137458	0.167509
C	0.690090	2.369669	2.251434		0.090457	-0.141155	0.178769
C	1.831836	3.146102	2.120754		0.357226	-0.494413	0.413610
C	2.119465	4.108443	3.065740		0.301710	-0.367833	0.302382
C	1.273545	4.297287	4.143064		-0.026956	0.129056	-0.044434
C	0.134756	3.524479	4.273721		-0.284879	0.473980	-0.269373
C	-0.157764	2.564780	3.331535		-0.210908	0.316718	-0.138524
C	3.518758	3.868172	9.527483		-0.078113	-0.137458	-0.167509
C	3.218165	4.890669	8.514692		-0.090457	-0.141155	-0.178769
C	2.076419	5.667102	8.645371		-0.357226	-0.494413	-0.413610
C	1.788789	6.629443	7.700385		-0.301710	-0.367833	-0.302382
C	2.634709	6.818287	6.623062		0.026956	0.129056	0.044434
C	3.773499	6.045479	6.492404		0.284879	0.473980	0.269373
C	4.066019	5.085780	7.434591		0.210908	0.316718	0.138524
C	1.998012	3.694828	20.293609		-0.078113	0.137458	-0.167509
C	1.697419	2.672331	19.280818		-0.090457	0.141155	-0.178769
C	0.555673	1.895898	19.411497		-0.357226	0.494413	-0.413610
C	0.268044	0.933557	18.466511		-0.301710	0.367833	-0.302382
C	1.113963	0.744713	17.389188		0.026956	-0.129056	0.044434
C	2.252753	1.517521	17.258530		0.284879	-0.473980	0.269373
C	2.545273	2.477220	18.200717		0.210908	-0.316718	0.138524
C	-1.131249	1.173828	12.004768		0.078113	0.137458	0.167509
C	-0.830656	0.151331	13.017559		0.090457	0.141155	0.178769
C	0.311090	-0.625102	12.886880		0.357226	0.494413	0.413610
C	0.598719	-1.587443	13.831866		0.301710	0.367833	0.302382
C	-0.247200	-1.776287	14.909189		-0.026956	-0.129056	-0.044434
C	-1.385990	-1.003479	15.039847		-0.284879	-0.473980	-0.269373
C	-1.678510	-0.043780	14.097660		-0.210908	-0.316718	-0.138524
O	1.120954	1.164263	0.269455		0.147801	-0.218891	0.243266
O	-0.696374	0.665887	1.453492		-0.047660	0.011009	0.040204
O	2.787300	3.685263	10.496671		-0.147801	-0.218891	-0.243266
O	4.604628	3.186887	9.312634		0.047660	0.011009	-0.040204
O	1.266554	3.877737	21.262797		-0.147801	0.218891	-0.243266
O	3.083882	4.376113	20.078760		0.047660	-0.011009	-0.040204
O	-0.399791	1.356737	11.035580		0.147801	0.218891	0.243266
O	-2.217119	1.855113	12.219617		-0.047660	-0.011009	0.040204
				60			
Bg, (2.99 THz), IR inactive
H	2.484705	2.992689	1.272427		-0.686094	0.743701	-0.562934
H	3.005087	4.717905	2.953127		-0.441118	0.528290	-0.431932
H	1.502754	5.054272	4.881534		0.255619	-0.251039	0.251073
H	-0.534262	3.677791	5.109302		0.655323	-0.732862	0.755774
H	-1.053100	1.966592	3.411871		0.370860	-0.525141	0.587288
H	-0.845147	-0.049669	0.734164		0.001618	-0.006465	0.059507
H	1.423549	5.513689	9.493699		-0.686094	-0.743701	-0.562934
H	0.903167	7.238905	7.812999		-0.441118	-0.528290	-0.431932
H	2.405500	7.575272	5.884592		0.255619	0.251039	0.251073
H	4.442516	6.198791	5.656824		0.655323	0.732862	0.755774
H	4.961354	4.487592	7.354254		0.370860	0.525141	0.587288
H	4.753401	2.471331	10.031962		0.001618	0.006465	0.059507
H	-0.097197	2.049311	20.259824		0.686094	-0.743701	0.562934
H	-0.617578	0.324095	18.579125		0.441118	-0.528290	0.431932
H	0.884755	-0.012272	16.650718		-0.255619	0.251039	-0.251073
H	2.921770	1.364209	16.422950		-0.655323	0.732862	-0.755774
H	3.440609	3.075408	18.120380		-0.370860	0.525141	-0.587288
H	3.232655	5.091669	20.798088		-0.001618	0.006465	-0.059507
H	0.963960	-0.471689	12.038553		0.686094	0.743701	0.562934
H	1.484341	-2.196905	13.719252		0.441118	0.528290	0.431932
H	-0.017992	-2.533272	15.647659		-0.255619	-0.251039	-0.251073
H	-2.055007	-1.156791	15.875427		-0.655323	-0.732862	-0.755774
H	-2.573845	0.554408	14.177997		-0.370860	-0.525141	-0.587288
H	-2.365892	2.570669	11.500289		-0.001618	-0.006465	-0.059507
C	0.389497	1.347172	1.238643		-0.184372	0.135254	-0.025796
C	0.690090	2.369669	2.251434		-0.173882	0.126497	-0.011834
C	1.831836	3.146102	2.120754		-0.419070	0.441618	-0.302452
C	2.119465	4.108443	3.065740		-0.265906	0.311402	-0.218611
C	1.273545	4.297287	4.143064		0.126734	-0.132440	0.167197
C	0.134756	3.524479	4.273721		0.351311	-0.421037	0.451984
C	-0.157764	2.564780	3.331535		0.190218	-0.282362	0.352704
C	3.518758	3.868172	9.527483		-0.184372	-0.135254	-0.025796
C	3.218165	4.890669	8.514692		-0.173882	-0.126497	-0.011834
C	2.076419	5.667102	8.645371		-0.419070	-0.441618	-0.302452
C	1.788789	6.629443	7.700385		-0.265906	-0.311402	-0.218611
C	2.634709	6.818287	6.623062		0.126734	0.132440	0.167197
C	3.773499	6.045479	6.492404		0.351311	0.421037	0.451984
C	4.066019	5.085780	7.434591		0.190218	0.282362	0.352704
C	1.998012	3.694828	20.293609		0.184372	-0.135254	0.025796
C	1.697419	2.672331	19.280818		0.173882	-0.126497	0.011834
C	0.555673	1.895898	19.411497		0.419070	-0.441618	0.302452
C	0.268044	0.933557	18.466511		0.265906	-0.311402	0.218611
C	1.113963	0.744713	17.389188		-0.126734	0.132440	-0.167197
C	2.252753	1.517521	17.258530		-0.351311	0.421037	-0.451984
C	2.545273	2.477220	18.200717		-0.190218	0.282362	-0.352704
C	-1.131249	1.173828	12.004768		0.184372	0.135254	0.025796
C	-0.830656	0.151331	13.017559		0.173882	0.126497	0.011834
C	0.311090	-0.625102	12.886880		0.419070	0.441618	0.302452
C	0.598719	-1.587443	13.831866		0.265906	0.311402	0.218611
C	-0.247200	-1.776287	14.909189		-0.126734	-0.132440	-0.167197
C	-1.385990	-1.003479	15.039847		-0.351311	-0.421037	-0.451984
C	-1.678510	-0.043780	14.097660		-0.190218	-0.282362	-0.352704
O	1.120954	1.164263	0.269455		-0.205468	0.160034	-0.045065
O	-0.696374	0.665887	1.453492		-0.134149	0.052294	0.007421
O	2.787300	3.685263	10.496671		-0.205468	-0.160034	-0.045065
O	4.604628	3.186887	9.312634		-0.134149	-0.052294	0.007421
O	1.266554	3.877737	21.262797		0.205468	-0.160034	0.045065
O	3.083882	4.376113	20.078760		0.134149	-0.052294	-0.007421
O	-0.399791	1.356737	11.035580		0.205468	0.160034	0.045065
O	-2.217119	1.855113	12.219617		0.134149	0.052294	-0.007421
				60			
Au, (3.15 THz), intensity=0.185							
H	2.484705	2.992689	1.272427		0.166163	0.360595	0.266387
H	3.005087	4.717905	2.953127		-0.420761	0.336140	0.466309
H	1.502754	5.054272	4.881534		-0.843791	0.009087	0.205298
H	-0.534262	3.677791	5.109302		-0.694158	-0.301066	-0.279812
H	-1.053100	1.966592	3.411871		-0.071109	-0.315402	-0.448692
H	-0.845147	-0.049669	0.734164		0.481263	-0.168496	-0.168015
H	1.423549	5.513689	9.493699		-0.166163	0.360595	-0.266387
H	0.903167	7.238905	7.812999		0.420761	0.336140	-0.466309
H	2.405500	7.575272	5.884592		0.843791	0.009087	-0.205298
H	4.442516	6.198791	5.656824		0.694158	-0.301066	0.279812
H	4.961354	4.487592	7.354254		0.071109	-0.315402	0.448692
H	4.753401	2.471331	10.031962		-0.481263	-0.168496	0.168015
H	-0.097197	2.049311	20.259824		0.166163	0.360595	0.266387
H	-0.617578	0.324095	18.579125		-0.420761	0.336140	0.466309
H	0.884755	-0.012272	16.650718		-0.843791	0.009087	0.205298
H	2.921770	1.364209	16.422950		-0.694158	-0.301066	-0.279812
H	3.440609	3.075408	18.120380		-0.071109	-0.315402	-0.448692
H	3.232655	5.091669	20.798088		0.481263	-0.168496	-0.168015
H	0.963960	-0.471689	12.038553		-0.166163	0.360595	-0.266387
H	1.484341	-2.196905	13.719252		0.420761	0.336140	-0.466309
H	-0.017992	-2.533272	15.647659		0.843791	0.009087	-0.205298
H	-2.055007	-1.156791	15.875427		0.694158	-0.301066	0.279812
H	-2.573845	0.554408	14.177997		0.071109	-0.315402	0.448692
H	-2.365892	2.570669	11.500289		-0.481263	-0.168496	0.168015
C	0.389497	1.347172	1.238643		0.345185	-0.028775	-0.149800
C	0.690090	2.369669	2.251434		0.083690	0.015051	-0.102723
C	1.831836	3.146102	2.120754		-0.022686	0.209350	0.151574
C	2.119465	4.108443	3.065740		-0.357831	0.202798	0.268267
C	1.273545	4.297287	4.143064		-0.594439	0.013765	0.119591
C	0.134756	3.524479	4.273721		-0.502190	-0.164776	-0.151692
C	-0.157764	2.564780	3.331535		-0.158216	-0.161600	-0.255688
C	3.518758	3.868172	9.527483		-0.345185	-0.028775	0.149800
C	3.218165	4.890669	8.514692		-0.083690	0.015051	0.102723
C	2.076419	5.667102	8.645371		0.022686	0.209350	-0.151574
C	1.788789	6.629443	7.700385		0.357831	0.202798	-0.268267
C	2.634709	6.818287	6.623062		0.594439	0.013765	-0.119591
C	3.773499	6.045479	6.492404		0.502190	-0.164776	0.151692
C	4.066019	5.085780	7.434591		0.158216	-0.161600	0.255688
C	1.998012	3.694828	20.293609		0.345185	-0.028775	-0.149800
C	1.697419	2.672331	19.280818		0.083690	0.015051	-0.102723
C	0.555673	1.895898	19.411497		-0.022686	0.209350	0.151574
C	0.268044	0.933557	18.466511		-0.357831	0.202798	0.268267
C	1.113963	0.744713	17.389188		-0.594439	0.013765	0.119591
C	2.252753	1.517521	17.258530		-0.502190	-0.164776	-0.151692
C	2.545273	2.477220	18.200717		-0.158216	-0.161600	-0.255688
C	-1.131249	1.173828	12.004768		-0.345185	-0.028775	0.149800
C	-0.830656	0.151331	13.017559		-0.083690	0.015051	0.102723
C	0.311090	-0.625102	12.886880		0.022686	0.209350	-0.151574
C	0.598719	-1.587443	13.831866		0.357831	0.202798	-0.268267
C	-0.247200	-1.776287	14.909189		0.594439	0.013765	-0.119591
C	-1.385990	-1.003479	15.039847		0.502190	-0.164776	0.151692
C	-1.678510	-0.043780	14.097660		0.158216	-0.161600	0.255688
O	1.120954	1.164263	0.269455		0.360458	0.089602	-0.165509
O	-0.696374	0.665887	1.453492		0.476244	-0.206726	-0.113740
O	2.787300	3.685263	10.496671		-0.360458	0.089602	0.165509
O	4.604628	3.186887	9.312634		-0.476244	-0.206726	0.113740
O	1.266554	3.877737	21.262797		0.360458	0.089602	-0.165509
O	3.083882	4.376113	20.078760		0.476244	-0.206726	-0.113740
O	-0.399791	1.356737	11.035580		-0.360458	0.089602	0.165509
O	-2.217119	1.855113	12.219617		-0.476244	-0.206726	0.113740
				60			
Bu, (3.26 THz), intensity=0.099							
H	2.484705	2.992689	1.272427		-0.119338	0.691708	-0.018433
H	3.005087	4.717905	2.953127		-0.430955	0.370654	0.400543
H	1.502754	5.054272	4.881534		-0.448415	-0.414976	0.535810
H	-0.534262	3.677791	5.109302		-0.158614	-0.880253	0.250598
H	-1.053100	1.966592	3.411871		0.183462	-0.614953	-0.148486
H	-0.845147	-0.049669	0.734164		0.256694	0.067421	-0.302573
H	1.423549	5.513689	9.493699		-0.119338	-0.691708	-0.018433
H	0.903167	7.238905	7.812999		-0.430955	-0.370654	0.400543
H	2.405500	7.575272	5.884592		-0.448415	0.414976	0.535810
H	4.442516	6.198791	5.656824		-0.158614	0.880253	0.250598
H	4.961354	4.487592	7.354254		0.183462	0.614953	-0.148486
H	4.753401	2.471331	10.031962		0.256694	-0.067421	-0.302573
H	-0.097197	2.049311	20.259824		-0.119338	0.691708	-0.018433
H	-0.617578	0.324095	18.579125		-0.430955	0.370654	0.400543
H	0.884755	-0.012272	16.650718		-0.448415	-0.414976	0.535810
H	2.921770	1.364209	16.422950		-0.158614	-0.880253	0.250598
H	3.440609	3.075408	18.120380		0.183462	-0.614953	-0.148486
H	3.232655	5.091669	20.798088		0.256694	0.067421	-0.302573
H	0.963960	-0.471689	12.038553		-0.119338	-0.691708	-0.018433
H	1.484341	-2.196905	13.719252		-0.430955	-0.370654	0.400543
H	-0.017992	-2.533272	15.647659		-0.448415	0.414976	0.535810
H	-2.055007	-1.156791	15.875427		-0.158614	0.880253	0.250598
H	-2.573845	0.554408	14.177997		0.183462	0.614953	-0.148486
H	-2.365892	2.570669	11.500289		0.256694	-0.067421	-0.302573
C	0.389497	1.347172	1.238643		0.179311	0.141973	-0.252445
C	0.690090	2.369669	2.251434		0.048509	0.053281	-0.109293
C	1.831836	3.146102	2.120754		-0.136075	0.346254	0.034332
C	2.119465	4.108443	3.065740		-0.312710	0.169661	0.275465
C	1.273545	4.297287	4.143064		-0.316317	-0.282583	0.355496
C	0.134756	3.524479	4.273721		-0.148118	-0.556624	0.196678
C	-0.157764	2.564780	3.331535		0.039110	-0.384716	-0.032122
C	3.518758	3.868172	9.527483		0.179311	-0.141973	-0.252445
C	3.218165	4.890669	8.514692		0.048509	-0.053281	-0.109293
C	2.076419	5.667102	8.645371		-0.136075	-0.346254	0.034332
C	1.788789	6.629443	7.700385		-0.312710	-0.169661	0.275465
C	2.634709	6.818287	6.623062		-0.316317	0.282583	0.355496
C	3.773499	6.045479	6.492404		-0.148118	0.556624	0.196678
C	4.066019	5.085780	7.434591		0.039110	0.384716	-0.032122
C	1.998012	3.694828	20.293609		0.179311	0.141973	-0.252445
C	1.697419	2.672331	19.280818		0.048509	0.053281	-0.109293
C	0.555673	1.895898	19.411497		-0.136075	0.346254	0.034332
C	0.268044	0.933557	18.466511		-0.312710	0.169661	0.275465
C	1.113963	0.744713	17.389188		-0.316317	-0.282583	0.355496
C	2.252753	1.517521	17.258530		-0.148118	-0.556624	0.196678
C	2.545273	2.477220	18.200717		0.039110	-0.384716	-0.032122
C	-1.131249	1.173828	12.004768		0.179311	-0.141973	-0.252445
C	-0.830656	0.151331	13.017559		0.048509	-0.053281	-0.109293
C	0.311090	-0.625102	12.886880		-0.136075	-0.346254	0.034332
C	0.598719	-1.587443	13.831866		-0.312710	-0.169661	0.275465
C	-0.247200	-1.776287	14.909189		-0.316317	0.282583	0.355496
C	-1.385990	-1.003479	15.039847		-0.148118	0.556624	0.196678
C	-1.678510	-0.043780	14.097660		0.039110	0.384716	-0.032122
O	1.120954	1.164263	0.269455		0.109253	0.343868	-0.350044
O	-0.696374	0.665887	1.453492		0.312670	-0.039233	-0.194233
O	2.787300	3.685263	10.496671		0.109253	-0.343868	-0.350044
O	4.604628	3.186887	9.312634		0.312670	0.039233	-0.194233
O	1.266554	3.877737	21.262797		0.109253	0.343868	-0.350044
O	3.083882	4.376113	20.078760		0.312670	-0.039233	-0.194233
O	-0.399791	1.356737	11.035580		0.109253	-0.343868	-0.350044
O	-2.217119	1.855113	12.219617		0.312670	0.039233	-0.194233
				60			
Bg, (3.51 THz), IR inactive						
H	2.484705	2.992689	1.272427		-0.097705	-0.306811	-0.046522
H	3.005087	4.717905	2.953127		0.300167	-0.292238	-0.181972
H	1.502754	5.054272	4.881534		0.532546	-0.012262	-0.049588
H	-0.534262	3.677791	5.109302		0.319125	0.332792	0.146498
H	-1.053100	1.966592	3.411871		-0.160195	0.431353	0.202231
H	-0.845147	-0.049669	0.734164		-0.467385	0.519477	-0.216680
H	1.423549	5.513689	9.493699		-0.097705	0.306811	-0.046522
H	0.903167	7.238905	7.812999		0.300167	0.292238	-0.181972
H	2.405500	7.575272	5.884592		0.532546	0.012262	-0.049588
H	4.442516	6.198791	5.656824		0.319125	-0.332792	0.146498
H	4.961354	4.487592	7.354254		-0.160195	-0.431353	0.202231
H	4.753401	2.471331	10.031962		-0.467385	-0.519477	-0.216680
H	-0.097197	2.049311	20.259824		0.097705	0.306811	0.046522
H	-0.617578	0.324095	18.579125		-0.300167	0.292238	0.181972
H	0.884755	-0.012272	16.650718		-0.532546	0.012262	0.049588
H	2.921770	1.364209	16.422950		-0.319125	-0.332792	-0.146498
H	3.440609	3.075408	18.120380		0.160195	-0.431353	-0.202231
H	3.232655	5.091669	20.798088		0.467385	-0.519477	0.216680
H	0.963960	-0.471689	12.038553		0.097705	-0.306811	0.046522
H	1.484341	-2.196905	13.719252		-0.300167	-0.292238	0.181972
H	-0.017992	-2.533272	15.647659		-0.532546	-0.012262	0.049588
H	-2.055007	-1.156791	15.875427		-0.319125	0.332792	-0.146498
H	-2.573845	0.554408	14.177997		0.160195	0.431353	-0.202231
H	-2.365892	2.570669	11.500289		0.467385	0.519477	0.216680
C	0.389497	1.347172	1.238643		-0.275013	0.073328	0.098099
C	0.690090	2.369669	2.251434		-0.156705	0.073093	0.068094
C	1.831836	3.146102	2.120754		-0.017962	-0.141911	-0.016978
C	2.119465	4.108443	3.065740		0.219269	-0.153071	-0.083737
C	1.273545	4.297287	4.143064		0.341960	0.015836	-0.019147
C	0.134756	3.524479	4.273721		0.215268	0.216819	0.086026
C	-0.157764	2.564780	3.331535		-0.051706	0.260019	0.116380
C	3.518758	3.868172	9.527483		-0.275013	-0.073328	0.098099
C	3.218165	4.890669	8.514692		-0.156705	-0.073093	0.068094
C	2.076419	5.667102	8.645371		-0.017962	0.141911	-0.016978
C	1.788789	6.629443	7.700385		0.219269	0.153071	-0.083737
C	2.634709	6.818287	6.623062		0.341960	-0.015836	-0.019147
C	3.773499	6.045479	6.492404		0.215268	-0.216819	0.086026
C	4.066019	5.085780	7.434591		-0.051706	-0.260019	0.116380
C	1.998012	3.694828	20.293609		0.275013	-0.073328	-0.098099
C	1.697419	2.672331	19.280818		0.156705	-0.073093	-0.068094
C	0.555673	1.895898	19.411497		0.017962	0.141911	0.016978
C	0.268044	0.933557	18.466511		-0.219269	0.153071	0.083737
C	1.113963	0.744713	17.389188		-0.341960	-0.015836	0.019147
C	2.252753	1.517521	17.258530		-0.215268	-0.216819	-0.086026
C	2.545273	2.477220	18.200717		0.051706	-0.260019	-0.116380
C	-1.131249	1.173828	12.004768		0.275013	0.073328	-0.098099
C	-0.830656	0.151331	13.017559		0.156705	0.073093	-0.068094
C	0.311090	-0.625102	12.886880		0.017962	-0.141911	0.016978
C	0.598719	-1.587443	13.831866		-0.219269	-0.153071	0.083737
C	-0.247200	-1.776287	14.909189		-0.341960	0.015836	0.019147
C	-1.385990	-1.003479	15.039847		-0.215268	0.216819	-0.086026
C	-1.678510	-0.043780	14.097660		0.051706	0.260019	-0.116380
O	1.120954	1.164263	0.269455		0.004390	-0.352349	0.403577
O	-0.696374	0.665887	1.453492		-0.657463	0.538057	-0.237136
O	2.787300	3.685263	10.496671		0.004390	0.352349	0.403577
O	4.604628	3.186887	9.312634		-0.657463	-0.538057	-0.237136
O	1.266554	3.877737	21.262797		-0.004390	0.352349	-0.403577
O	3.083882	4.376113	20.078760		0.657463	-0.538057	0.237136
O	-0.399791	1.356737	11.035580		-0.004390	-0.352349	-0.403577
O	-2.217119	1.855113	12.219617		0.657463	0.538057	0.237136
				60			
Au, (3.54 THz), intensity=0.078							
H	2.484705	2.992689	1.272427		0.398220	-0.284679	0.365682
H	3.005087	4.717905	2.953127		0.515462	-0.644568	0.709186
H	1.502754	5.054272	4.881534		0.141656	-0.403266	0.371573
H	-0.534262	3.677791	5.109302		-0.331737	0.198668	-0.284816
H	-1.053100	1.966592	3.411871		-0.383180	0.480704	-0.557952
H	-0.845147	-0.049669	0.734164		-0.169371	0.391744	-0.375304
H	1.423549	5.513689	9.493699		-0.398220	-0.284679	-0.365682
H	0.903167	7.238905	7.812999		-0.515462	-0.644568	-0.709186
H	2.405500	7.575272	5.884592		-0.141656	-0.403266	-0.371573
H	4.442516	6.198791	5.656824		0.331737	0.198668	0.284816
H	4.961354	4.487592	7.354254		0.383180	0.480704	0.557952
H	4.753401	2.471331	10.031962		0.169371	0.391744	0.375304
H	-0.097197	2.049311	20.259824		0.398220	-0.284679	0.365682
H	-0.617578	0.324095	18.579125		0.515462	-0.644568	0.709186
H	0.884755	-0.012272	16.650718		0.141656	-0.403266	0.371573
H	2.921770	1.364209	16.422950		-0.331737	0.198668	-0.284816
H	3.440609	3.075408	18.120380		-0.383180	0.480704	-0.557952
H	3.232655	5.091669	20.798088		-0.169371	0.391744	-0.375304
H	0.963960	-0.471689	12.038553		-0.398220	-0.284679	-0.365682
H	1.484341	-2.196905	13.719252		-0.515462	-0.644568	-0.709186
H	-0.017992	-2.533272	15.647659		-0.141656	-0.403266	-0.371573
H	-2.055007	-1.156791	15.875427		0.331737	0.198668	0.284816
H	-2.573845	0.554408	14.177997		0.383180	0.480704	0.557952
H	-2.365892	2.570669	11.500289		0.169371	0.391744	0.375304
C	0.389497	1.347172	1.238643		-0.081058	0.290210	-0.275152
C	0.690090	2.369669	2.251434		-0.002141	0.115895	-0.116392
C	1.831836	3.146102	2.120754		0.254085	-0.201551	0.240226
C	2.119465	4.108443	3.065740		0.310188	-0.398735	0.426971
C	1.273545	4.297287	4.143064		0.098135	-0.257437	0.236019
C	0.134756	3.524479	4.273721		-0.167292	0.074173	-0.133304
C	-0.157764	2.564780	3.331535		-0.202383	0.243519	-0.295058
C	3.518758	3.868172	9.527483		0.081058	0.290210	0.275152
C	3.218165	4.890669	8.514692		0.002141	0.115895	0.116392
C	2.076419	5.667102	8.645371		-0.254085	-0.201551	-0.240226
C	1.788789	6.629443	7.700385		-0.310188	-0.398735	-0.426971
C	2.634709	6.818287	6.623062		-0.098135	-0.257437	-0.236019
C	3.773499	6.045479	6.492404		0.167292	0.074173	0.133304
C	4.066019	5.085780	7.434591		0.202383	0.243519	0.295058
C	1.998012	3.694828	20.293609		-0.081058	0.290210	-0.275152
C	1.697419	2.672331	19.280818		-0.002141	0.115895	-0.116392
C	0.555673	1.895898	19.411497		0.254085	-0.201551	0.240226
C	0.268044	0.933557	18.466511		0.310188	-0.398735	0.426971
C	1.113963	0.744713	17.389188		0.098135	-0.257437	0.236019
C	2.252753	1.517521	17.258530		-0.167292	0.074173	-0.133304
C	2.545273	2.477220	18.200717		-0.202383	0.243519	-0.295058
C	-1.131249	1.173828	12.004768		0.081058	0.290210	0.275152
C	-0.830656	0.151331	13.017559		0.002141	0.115895	0.116392
C	0.311090	-0.625102	12.886880		-0.254085	-0.201551	-0.240226
C	0.598719	-1.587443	13.831866		-0.310188	-0.398735	-0.426971
C	-0.247200	-1.776287	14.909189		-0.098135	-0.257437	-0.236019
C	-1.385990	-1.003479	15.039847		0.167292	0.074173	0.133304
C	-1.678510	-0.043780	14.097660		0.202383	0.243519	0.295058
O	1.120954	1.164263	0.269455		-0.113493	0.359998	-0.313895
O	-0.696374	0.665887	1.453492		-0.133627	0.349936	-0.332789
O	2.787300	3.685263	10.496671		0.113493	0.359998	0.313895
O	4.604628	3.186887	9.312634		0.133627	0.349936	0.332789
O	1.266554	3.877737	21.262797		-0.113493	0.359998	-0.313895
O	3.083882	4.376113	20.078760		-0.133627	0.349936	-0.332789
O	-0.399791	1.356737	11.035580		0.113493	0.359998	0.313895
O	-2.217119	1.855113	12.219617		0.133627	0.349936	0.332789
				60			
Bu, (3.55 THz), intensity=0.019						
H	2.484705	2.992689	1.272427		-0.382603	0.310332	-0.363369
H	3.005087	4.717905	2.953127		-0.551328	0.655364	-0.670925
H	1.502754	5.054272	4.881534		-0.217827	0.362398	-0.359409
H	-0.534262	3.677791	5.109302		0.269488	-0.236754	0.252370
H	-1.053100	1.966592	3.411871		0.397336	-0.563582	0.509218
H	-0.845147	-0.049669	0.734164		0.236194	-0.425050	0.321434
H	1.423549	5.513689	9.493699		-0.382603	-0.310332	-0.363369
H	0.903167	7.238905	7.812999		-0.551328	-0.655364	-0.670925
H	2.405500	7.575272	5.884592		-0.217827	-0.362398	-0.359409
H	4.442516	6.198791	5.656824		0.269488	0.236754	0.252370
H	4.961354	4.487592	7.354254		0.397336	0.563582	0.509218
H	4.753401	2.471331	10.031962		0.236194	0.425050	0.321434
H	-0.097197	2.049311	20.259824		-0.382603	0.310332	-0.363369
H	-0.617578	0.324095	18.579125		-0.551328	0.655364	-0.670925
H	0.884755	-0.012272	16.650718		-0.217827	0.362398	-0.359409
H	2.921770	1.364209	16.422950		0.269488	-0.236754	0.252370
H	3.440609	3.075408	18.120380		0.397336	-0.563582	0.509218
H	3.232655	5.091669	20.798088		0.236194	-0.425050	0.321434
H	0.963960	-0.471689	12.038553		-0.382603	-0.310332	-0.363369
H	1.484341	-2.196905	13.719252		-0.551328	-0.655364	-0.670925
H	-0.017992	-2.533272	15.647659		-0.217827	-0.362398	-0.359409
H	-2.055007	-1.156791	15.875427		0.269488	0.236754	0.252370
H	-2.573845	0.554408	14.177997		0.397336	0.563582	0.509218
H	-2.365892	2.570669	11.500289		0.236194	0.425050	0.321434
C	0.389497	1.347172	1.238643		0.128161	-0.303986	0.230663
C	0.690090	2.369669	2.251434		0.021159	-0.138279	0.092353
C	1.831836	3.146102	2.120754		-0.250832	0.204450	-0.242741
C	2.119465	4.108443	3.065740		-0.339656	0.394920	-0.413090
C	1.273545	4.297287	4.143064		-0.152970	0.227076	-0.238280
C	0.134756	3.524479	4.273721		0.119950	-0.119895	0.108659
C	-0.157764	2.564780	3.331535		0.197662	-0.295547	0.261266
C	3.518758	3.868172	9.527483		0.128161	0.303986	0.230663
C	3.218165	4.890669	8.514692		0.021159	0.138279	0.092353
C	2.076419	5.667102	8.645371		-0.250832	-0.204450	-0.242741
C	1.788789	6.629443	7.700385		-0.339656	-0.394920	-0.413090
C	2.634709	6.818287	6.623062		-0.152970	-0.227076	-0.238280
C	3.773499	6.045479	6.492404		0.119950	0.119895	0.108659
C	4.066019	5.085780	7.434591		0.197662	0.295547	0.261266
C	1.998012	3.694828	20.293609		0.128161	-0.303986	0.230663
C	1.697419	2.672331	19.280818		0.021159	-0.138279	0.092353
C	0.555673	1.895898	19.411497		-0.250832	0.204450	-0.242741
C	0.268044	0.933557	18.466511		-0.339656	0.394920	-0.413090
C	1.113963	0.744713	17.389188		-0.152970	0.227076	-0.238280
C	2.252753	1.517521	17.258530		0.119950	-0.119895	0.108659
C	2.545273	2.477220	18.200717		0.197662	-0.295547	0.261266
C	-1.131249	1.173828	12.004768		0.128161	0.303986	0.230663
C	-0.830656	0.151331	13.017559		0.021159	0.138279	0.092353
C	0.311090	-0.625102	12.886880		-0.250832	-0.204450	-0.242741
C	0.598719	-1.587443	13.831866		-0.339656	-0.394920	-0.413090
C	-0.247200	-1.776287	14.909189		-0.152970	-0.227076	-0.238280
C	-1.385990	-1.003479	15.039847		0.119950	0.119895	0.108659
C	-1.678510	-0.043780	14.097660		0.197662	0.295547	0.261266
O	1.120954	1.164263	0.269455		0.138564	-0.318497	0.241731
O	-0.696374	0.665887	1.453492		0.218241	-0.411679	0.310040
O	2.787300	3.685263	10.496671		0.138564	0.318497	0.241731
O	4.604628	3.186887	9.312634		0.218241	0.411679	0.310040
O	1.266554	3.877737	21.262797		0.138564	-0.318497	0.241731
O	3.083882	4.376113	20.078760		0.218241	-0.411679	0.310040
O	-0.399791	1.356737	11.035580		0.138564	0.318497	0.241731
O	-2.217119	1.855113	12.219617		0.218241	0.411679	0.310040
				60			
Ag, (3.60 THz), IR inactive							
H	2.484705	2.992689	1.272427		-0.234900	-0.157337	-0.217188
H	3.005087	4.717905	2.953127		0.216418	-0.243963	-0.262993
H	1.502754	5.054272	4.881534		0.610628	-0.222548	0.040434
H	-0.534262	3.677791	5.109302		0.504596	-0.010417	0.325411
H	-1.053100	1.966592	3.411871		-0.042487	0.206016	0.263603
H	-0.845147	-0.049669	0.734164		-0.468286	0.468264	-0.240118
H	1.423549	5.513689	9.493699		0.234900	-0.157337	0.217188
H	0.903167	7.238905	7.812999		-0.216418	-0.243963	0.262993
H	2.405500	7.575272	5.884592		-0.610628	-0.222548	-0.040434
H	4.442516	6.198791	5.656824		-0.504596	-0.010417	-0.325411
H	4.961354	4.487592	7.354254		0.042487	0.206016	-0.263603
H	4.753401	2.471331	10.031962		0.468286	0.468264	0.240118
H	-0.097197	2.049311	20.259824		0.234900	0.157337	0.217188
H	-0.617578	0.324095	18.579125		-0.216418	0.243963	0.262993
H	0.884755	-0.012272	16.650718		-0.610628	0.222548	-0.040434
H	2.921770	1.364209	16.422950		-0.504596	0.010417	-0.325411
H	3.440609	3.075408	18.120380		0.042487	-0.206016	-0.263603
H	3.232655	5.091669	20.798088		0.468286	-0.468264	0.240118
H	0.963960	-0.471689	12.038553		-0.234900	0.157337	-0.217188
H	1.484341	-2.196905	13.719252		0.216418	0.243963	-0.262993
H	-0.017992	-2.533272	15.647659		0.610628	0.222548	0.040434
H	-2.055007	-1.156791	15.875427		0.504596	0.010417	0.325411
H	-2.573845	0.554408	14.177997		-0.042487	-0.206016	0.263603
H	-2.365892	2.570669	11.500289		-0.468286	-0.468264	-0.240118
C	0.389497	1.347172	1.238643		-0.311002	0.080142	0.036077
C	0.690090	2.369669	2.251434		-0.169403	0.048325	0.018933
C	1.831836	3.146102	2.120754		-0.090085	-0.090506	-0.120172
C	2.119465	4.108443	3.065740		0.178600	-0.162835	-0.136404
C	1.273545	4.297287	4.143064		0.392493	-0.138901	0.025070
C	0.134756	3.524479	4.273721		0.323449	-0.014733	0.181725
C	-0.157764	2.564780	3.331535		0.022672	0.096182	0.157575
C	3.518758	3.868172	9.527483		0.311002	0.080142	-0.036077
C	3.218165	4.890669	8.514692		0.169403	0.048325	-0.018933
C	2.076419	5.667102	8.645371		0.090085	-0.090506	0.120172
C	1.788789	6.629443	7.700385		-0.178600	-0.162835	0.136404
C	2.634709	6.818287	6.623062		-0.392493	-0.138901	-0.025070
C	3.773499	6.045479	6.492404		-0.323449	-0.014733	-0.181725
C	4.066019	5.085780	7.434591		-0.022672	0.096182	-0.157575
C	1.998012	3.694828	20.293609		0.311002	-0.080142	-0.036077
C	1.697419	2.672331	19.280818		0.169403	-0.048325	-0.018933
C	0.555673	1.895898	19.411497		0.090085	0.090506	0.120172
C	0.268044	0.933557	18.466511		-0.178600	0.162835	0.136404
C	1.113963	0.744713	17.389188		-0.392493	0.138901	-0.025070
C	2.252753	1.517521	17.258530		-0.323449	0.014733	-0.181725
C	2.545273	2.477220	18.200717		-0.022672	-0.096182	-0.157575
C	-1.131249	1.173828	12.004768		-0.311002	-0.080142	0.036077
C	-0.830656	0.151331	13.017559		-0.169403	-0.048325	0.018933
C	0.311090	-0.625102	12.886880		-0.090085	0.090506	-0.120172
C	0.598719	-1.587443	13.831866		0.178600	0.162835	-0.136404
C	-0.247200	-1.776287	14.909189		0.392493	0.138901	0.025070
C	-1.385990	-1.003479	15.039847		0.323449	0.014733	0.181725
C	-1.678510	-0.043780	14.097660		0.022672	-0.096182	0.157575
O	1.120954	1.164263	0.269455		-0.044876	-0.312527	0.319694
O	-0.696374	0.665887	1.453492		-0.672011	0.529452	-0.280875
O	2.787300	3.685263	10.496671		0.044876	-0.312527	-0.319694
O	4.604628	3.186887	9.312634		0.672011	0.529452	0.280875
O	1.266554	3.877737	21.262797		0.044876	0.312527	-0.319694
O	3.083882	4.376113	20.078760		0.672011	-0.529452	0.280875
O	-0.399791	1.356737	11.035580		-0.044876	0.312527	0.319694
O	-2.217119	1.855113	12.219617		-0.672011	-0.529452	-0.280875
				60			
Ag, (4.01 THz), IR inactive						
H	2.484705	2.992689	1.272427		0.061834	-0.215237	-0.058319
H	3.005087	4.717905	2.953127		0.414399	-0.659475	0.303663
H	1.502754	5.054272	4.881534		0.355596	-0.590923	0.233762
H	-0.534262	3.677791	5.109302		-0.098083	0.024973	-0.217276
H	-1.053100	1.966592	3.411871		-0.397215	0.393730	-0.518865
H	-0.845147	-0.049669	0.734164		0.057621	-0.222960	-0.002532
H	1.423549	5.513689	9.493699		-0.061834	-0.215237	0.058319
H	0.903167	7.238905	7.812999		-0.414399	-0.659475	-0.303663
H	2.405500	7.575272	5.884592		-0.355596	-0.590923	-0.233762
H	4.442516	6.198791	5.656824		0.098083	0.024973	0.217276
H	4.961354	4.487592	7.354254		0.397215	0.393730	0.518865
H	4.753401	2.471331	10.031962		-0.057621	-0.222960	0.002532
H	-0.097197	2.049311	20.259824		-0.061834	0.215237	0.058319
H	-0.617578	0.324095	18.579125		-0.414399	0.659475	-0.303663
H	0.884755	-0.012272	16.650718		-0.355596	0.590923	-0.233762
H	2.921770	1.364209	16.422950		0.098083	-0.024973	0.217276
H	3.440609	3.075408	18.120380		0.397215	-0.393730	0.518865
H	3.232655	5.091669	20.798088		-0.057621	0.222960	0.002532
H	0.963960	-0.471689	12.038553		0.061834	0.215237	-0.058319
H	1.484341	-2.196905	13.719252		0.414399	0.659475	0.303663
H	-0.017992	-2.533272	15.647659		0.355596	0.590923	0.233762
H	-2.055007	-1.156791	15.875427		-0.098083	-0.024973	-0.217276
H	-2.573845	0.554408	14.177997		-0.397215	-0.393730	-0.518865
H	-2.365892	2.570669	11.500289		0.057621	0.222960	-0.002532
C	0.389497	1.347172	1.238643		-0.256326	0.211108	-0.339970
C	0.690090	2.369669	2.251434		-0.188210	0.127084	-0.300091
C	1.831836	3.146102	2.120754		0.023077	-0.156417	-0.099646
C	2.119465	4.108443	3.065740		0.223041	-0.417595	0.101587
C	1.273545	4.297287	4.143064		0.187084	-0.375338	0.064874
C	0.134756	3.524479	4.273721		-0.067713	-0.041474	-0.184309
C	-0.157764	2.564780	3.331535		-0.244804	0.185728	-0.358231
C	3.518758	3.868172	9.527483		0.256326	0.211108	0.339970
C	3.218165	4.890669	8.514692		0.188210	0.127084	0.300091
C	2.076419	5.667102	8.645371		-0.023077	-0.156417	0.099646
C	1.788789	6.629443	7.700385		-0.223041	-0.417595	-0.101587
C	2.634709	6.818287	6.623062		-0.187084	-0.375338	-0.064874
C	3.773499	6.045479	6.492404		0.067713	-0.041474	0.184309
C	4.066019	5.085780	7.434591		0.244804	0.185728	0.358231
C	1.998012	3.694828	20.293609		0.256326	-0.211108	0.339970
C	1.697419	2.672331	19.280818		0.188210	-0.127084	0.300091
C	0.555673	1.895898	19.411497		-0.023077	0.156417	0.099646
C	0.268044	0.933557	18.466511		-0.223041	0.417595	-0.101587
C	1.113963	0.744713	17.389188		-0.187084	0.375338	-0.064874
C	2.252753	1.517521	17.258530		0.067713	0.041474	0.184309
C	2.545273	2.477220	18.200717		0.244804	-0.185728	0.358231
C	-1.131249	1.173828	12.004768		-0.256326	-0.211108	-0.339970
C	-0.830656	0.151331	13.017559		-0.188210	-0.127084	-0.300091
C	0.311090	-0.625102	12.886880		0.023077	0.156417	-0.099646
C	0.598719	-1.587443	13.831866		0.223041	0.417595	0.101587
C	-0.247200	-1.776287	14.909189		0.187084	0.375338	0.064874
C	-1.385990	-1.003479	15.039847		-0.067713	0.041474	-0.184309
C	-1.678510	-0.043780	14.097660		-0.244804	-0.185728	-0.358231
O	1.120954	1.164263	0.269455		-0.402106	0.428189	-0.511271
O	-0.696374	0.665887	1.453492		-0.049833	-0.012796	-0.135319
O	2.787300	3.685263	10.496671		0.402106	0.428189	0.511271
O	4.604628	3.186887	9.312634		0.049833	-0.012796	0.135319
O	1.266554	3.877737	21.262797		0.402106	-0.428189	0.511271
O	3.083882	4.376113	20.078760		0.049833	0.012796	0.135319
O	-0.399791	1.356737	11.035580		-0.402106	-0.428189	-0.511271
O	-2.217119	1.855113	12.219617		-0.049833	0.012796	-0.135319
				60			
Bg, (4.03 THz), IR inactive							
H	2.484705	2.992689	1.272427		-0.020468	0.101659	0.052385
H	3.005087	4.717905	2.953127		-0.373444	0.615253	-0.374613
H	1.502754	5.054272	4.881534		-0.361333	0.665932	-0.366190
H	-0.534262	3.677791	5.109302		0.052534	0.134214	0.107595
H	-1.053100	1.966592	3.411871		0.368459	-0.336866	0.484926
H	-0.845147	-0.049669	0.734164		-0.015516	0.140221	0.030291
H	1.423549	5.513689	9.493699		-0.020468	-0.101659	0.052385
H	0.903167	7.238905	7.812999		-0.373444	-0.615253	-0.374613
H	2.405500	7.575272	5.884592		-0.361333	-0.665932	-0.366190
H	4.442516	6.198791	5.656824		0.052534	-0.134214	0.107595
H	4.961354	4.487592	7.354254		0.368459	0.336866	0.484926
H	4.753401	2.471331	10.031962		-0.015516	-0.140221	0.030291
H	-0.097197	2.049311	20.259824		0.020468	-0.101659	-0.052385
H	-0.617578	0.324095	18.579125		0.373444	-0.615253	0.374613
H	0.884755	-0.012272	16.650718		0.361333	-0.665932	0.366190
H	2.921770	1.364209	16.422950		-0.052534	-0.134214	-0.107595
H	3.440609	3.075408	18.120380		-0.368459	0.336866	-0.484926
H	3.232655	5.091669	20.798088		0.015516	-0.140221	-0.030291
H	0.963960	-0.471689	12.038553		0.020468	0.101659	-0.052385
H	1.484341	-2.196905	13.719252		0.373444	0.615253	0.374613
H	-0.017992	-2.533272	15.647659		0.361333	0.665932	0.366190
H	-2.055007	-1.156791	15.875427		-0.052534	0.134214	-0.107595
H	-2.573845	0.554408	14.177997		-0.368459	-0.336866	-0.484926
H	-2.365892	2.570669	11.500289		0.015516	0.140221	-0.030291
C	0.389497	1.347172	1.238643		0.270385	-0.254491	0.347383
C	0.690090	2.369669	2.251434		0.195719	-0.151961	0.286126
C	1.831836	3.146102	2.120754		0.003874	0.099377	0.071873
C	2.119465	4.108443	3.065740		-0.200346	0.400513	-0.171704
C	1.273545	4.297287	4.143064		-0.194269	0.431061	-0.172401
C	0.134756	3.524479	4.273721		0.036298	0.134779	0.093169
C	-0.157764	2.564780	3.331535		0.225233	-0.143466	0.312876
C	3.518758	3.868172	9.527483		0.270385	0.254491	0.347383
C	3.218165	4.890669	8.514692		0.195719	0.151961	0.286126
C	2.076419	5.667102	8.645371		0.003874	-0.099377	0.071873
C	1.788789	6.629443	7.700385		-0.200346	-0.400513	-0.171704
C	2.634709	6.818287	6.623062		-0.194269	-0.431061	-0.172401
C	3.773499	6.045479	6.492404		0.036298	-0.134779	0.093169
C	4.066019	5.085780	7.434591		0.225233	0.143466	0.312876
C	1.998012	3.694828	20.293609		-0.270385	0.254491	-0.347383
C	1.697419	2.672331	19.280818		-0.195719	0.151961	-0.286126
C	0.555673	1.895898	19.411497		-0.003874	-0.099377	-0.071873
C	0.268044	0.933557	18.466511		0.200346	-0.400513	0.171704
C	1.113963	0.744713	17.389188		0.194269	-0.431061	0.172401
C	2.252753	1.517521	17.258530		-0.036298	-0.134779	-0.093169
C	2.545273	2.477220	18.200717		-0.225233	0.143466	-0.312876
C	-1.131249	1.173828	12.004768		-0.270385	-0.254491	-0.347383
C	-0.830656	0.151331	13.017559		-0.195719	-0.151961	-0.286126
C	0.311090	-0.625102	12.886880		-0.003874	0.099377	-0.071873
C	0.598719	-1.587443	13.831866		0.200346	0.400513	0.171704
C	-0.247200	-1.776287	14.909189		0.194269	0.431061	0.172401
C	-1.385990	-1.003479	15.039847		-0.036298	0.134779	-0.093169
C	-1.678510	-0.043780	14.097660		-0.225233	-0.143466	-0.312876
O	1.120954	1.164263	0.269455		0.386560	-0.424298	0.484003
O	-0.696374	0.665887	1.453492		0.112644	-0.083824	0.185477
O	2.787300	3.685263	10.496671		0.386560	0.424298	0.484003
O	4.604628	3.186887	9.312634		0.112644	0.083824	0.185477
O	1.266554	3.877737	21.262797		-0.386560	0.424298	-0.484003
O	3.083882	4.376113	20.078760		-0.112644	0.083824	-0.185477
O	-0.399791	1.356737	11.035580		-0.386560	-0.424298	-0.484003
O	-2.217119	1.855113	12.219617		-0.112644	-0.083824	-0.185477
				60			
Bg, (4.25 THz), IR inactive							
H	2.484705	2.992689	1.272427		-0.305038	-0.644705	-0.311561
H	3.005087	4.717905	2.953127		-0.035378	-0.344870	-0.689693
H	1.502754	5.054272	4.881534		0.164158	0.062658	-0.614817
H	-0.534262	3.677791	5.109302		0.176553	0.165695	-0.095647
H	-1.053100	1.966592	3.411871		-0.099131	-0.143785	0.248657
H	-0.845147	-0.049669	0.734164		-0.061376	-0.478340	-0.001550
H	1.423549	5.513689	9.493699		-0.305038	0.644705	-0.311561
H	0.903167	7.238905	7.812999		-0.035378	0.344870	-0.689693
H	2.405500	7.575272	5.884592		0.164158	-0.062658	-0.614817
H	4.442516	6.198791	5.656824		0.176553	-0.165695	-0.095647
H	4.961354	4.487592	7.354254		-0.099131	0.143785	0.248657
H	4.753401	2.471331	10.031962		-0.061376	0.478340	-0.001550
H	-0.097197	2.049311	20.259824		0.305038	0.644705	0.311561
H	-0.617578	0.324095	18.579125		0.035378	0.344870	0.689693
H	0.884755	-0.012272	16.650718		-0.164158	-0.062658	0.614817
H	2.921770	1.364209	16.422950		-0.176553	-0.165695	0.095647
H	3.440609	3.075408	18.120380		0.099131	0.143785	-0.248657
H	3.232655	5.091669	20.798088		0.061376	0.478340	0.001550
H	0.963960	-0.471689	12.038553		0.305038	-0.644705	0.311561
H	1.484341	-2.196905	13.719252		0.035378	-0.344870	0.689693
H	-0.017992	-2.533272	15.647659		-0.164158	0.062658	0.614817
H	-2.055007	-1.156791	15.875427		-0.176553	0.165695	0.095647
H	-2.573845	0.554408	14.177997		0.099131	-0.143785	-0.248657
H	-2.365892	2.570669	11.500289		0.061376	-0.478340	0.001550
C	0.389497	1.347172	1.238643		-0.297063	-0.362102	0.093572
C	0.690090	2.369669	2.251434		-0.210153	-0.360436	0.006698
C	1.831836	3.146102	2.120754		-0.189737	-0.450738	-0.262522
C	2.119465	4.108443	3.065740		-0.041464	-0.295215	-0.489662
C	1.273545	4.297287	4.143064		0.068669	-0.073628	-0.445180
C	0.134756	3.524479	4.273721		0.061661	-0.017612	-0.154784
C	-0.157764	2.564780	3.331535		-0.086658	-0.184812	0.060291
C	3.518758	3.868172	9.527483		-0.297063	0.362102	0.093572
C	3.218165	4.890669	8.514692		-0.210153	0.360436	0.006698
C	2.076419	5.667102	8.645371		-0.189737	0.450738	-0.262522
C	1.788789	6.629443	7.700385		-0.041464	0.295215	-0.489662
C	2.634709	6.818287	6.623062		0.068669	0.073628	-0.445180
C	3.773499	6.045479	6.492404		0.061661	0.017612	-0.154784
C	4.066019	5.085780	7.434591		-0.086658	0.184812	0.060291
C	1.998012	3.694828	20.293609		0.297063	0.362102	-0.093572
C	1.697419	2.672331	19.280818		0.210153	0.360436	-0.006698
C	0.555673	1.895898	19.411497		0.189737	0.450738	0.262522
C	0.268044	0.933557	18.466511		0.041464	0.295215	0.489662
C	1.113963	0.744713	17.389188		-0.068669	0.073628	0.445180
C	2.252753	1.517521	17.258530		-0.061661	0.017612	0.154784
C	2.545273	2.477220	18.200717		0.086658	0.184812	-0.060291
C	-1.131249	1.173828	12.004768		0.297063	-0.362102	-0.093572
C	-0.830656	0.151331	13.017559		0.210153	-0.360436	-0.006698
C	0.311090	-0.625102	12.886880		0.189737	-0.450738	0.262522
C	0.598719	-1.587443	13.831866		0.041464	-0.295215	0.489662
C	-0.247200	-1.776287	14.909189		-0.068669	-0.073628	0.445180
C	-1.385990	-1.003479	15.039847		-0.061661	-0.017612	0.154784
C	-1.678510	-0.043780	14.097660		0.086658	-0.184812	-0.060291
O	1.120954	1.164263	0.269455		-0.346078	-0.130775	-0.015320
O	-0.696374	0.665887	1.453492		-0.136014	-0.511008	0.167961
O	2.787300	3.685263	10.496671		-0.346078	0.130775	-0.015320
O	4.604628	3.186887	9.312634		-0.136014	0.511008	0.167961
O	1.266554	3.877737	21.262797		0.346078	0.130775	0.015320
O	3.083882	4.376113	20.078760		0.136014	0.511008	-0.167961
O	-0.399791	1.356737	11.035580		0.346078	-0.130775	0.015320
O	-2.217119	1.855113	12.219617		0.136014	-0.511008	-0.167961
				60			
Ag, (4.29 THz), IR inactive							
H	2.484705	2.992689	1.272427		0.348652	0.581114	0.301857
H	3.005087	4.717905	2.953127		0.086767	0.240990	0.726313
H	1.502754	5.054272	4.881534		-0.138044	-0.178705	0.628391
H	-0.534262	3.677791	5.109302		-0.177042	-0.236918	0.063233
H	-1.053100	1.966592	3.411871		0.074071	0.130666	-0.348619
H	-0.845147	-0.049669	0.734164		0.025202	0.480934	-0.062745
H	1.423549	5.513689	9.493699		-0.348652	0.581114	-0.301857
H	0.903167	7.238905	7.812999		-0.086767	0.240990	-0.726313
H	2.405500	7.575272	5.884592		0.138044	-0.178705	-0.628391
H	4.442516	6.198791	5.656824		0.177042	-0.236918	-0.063233
H	4.961354	4.487592	7.354254		-0.074071	0.130666	0.348619
H	4.753401	2.471331	10.031962		-0.025202	0.480934	0.062745
H	-0.097197	2.049311	20.259824		-0.348652	-0.581114	-0.301857
H	-0.617578	0.324095	18.579125		-0.086767	-0.240990	-0.726313
H	0.884755	-0.012272	16.650718		0.138044	0.178705	-0.628391
H	2.921770	1.364209	16.422950		0.177042	0.236918	-0.063233
H	3.440609	3.075408	18.120380		-0.074071	-0.130666	0.348619
H	3.232655	5.091669	20.798088		-0.025202	-0.480934	0.062745
H	0.963960	-0.471689	12.038553		0.348652	-0.581114	0.301857
H	1.484341	-2.196905	13.719252		0.086767	-0.240990	0.726313
H	-0.017992	-2.533272	15.647659		-0.138044	0.178705	0.628391
H	-2.055007	-1.156791	15.875427		-0.177042	0.236918	0.063233
H	-2.573845	0.554408	14.177997		0.074071	-0.130666	-0.348619
H	-2.365892	2.570669	11.500289		0.025202	-0.480934	-0.062745
C	0.389497	1.347172	1.238643		0.284618	0.364527	-0.158186
C	0.690090	2.369669	2.251434		0.213319	0.339010	-0.061997
C	1.831836	3.146102	2.120754		0.219810	0.393018	0.240850
C	2.119465	4.108443	3.065740		0.074465	0.211636	0.491822
C	1.273545	4.297287	4.143064		-0.054126	-0.012480	0.433396
C	0.134756	3.524479	4.273721		-0.067482	-0.042584	0.114424
C	-0.157764	2.564780	3.331535		0.073209	0.157407	-0.128758
C	3.518758	3.868172	9.527483		-0.284618	0.364527	0.158186
C	3.218165	4.890669	8.514692		-0.213319	0.339010	0.061997
C	2.076419	5.667102	8.645371		-0.219810	0.393018	-0.240850
C	1.788789	6.629443	7.700385		-0.074465	0.211636	-0.491822
C	2.634709	6.818287	6.623062		0.054126	-0.012480	-0.433396
C	3.773499	6.045479	6.492404		0.067482	-0.042584	-0.114424
C	4.066019	5.085780	7.434591		-0.073209	0.157407	0.128758
C	1.998012	3.694828	20.293609		-0.284618	-0.364527	0.158186
C	1.697419	2.672331	19.280818		-0.213319	-0.339010	0.061997
C	0.555673	1.895898	19.411497		-0.219810	-0.393018	-0.240850
C	0.268044	0.933557	18.466511		-0.074465	-0.211636	-0.491822
C	1.113963	0.744713	17.389188		0.054126	0.012480	-0.433396
C	2.252753	1.517521	17.258530		0.067482	0.042584	-0.114424
C	2.545273	2.477220	18.200717		-0.073209	-0.157407	0.128758
C	-1.131249	1.173828	12.004768		0.284618	-0.364527	-0.158186
C	-0.830656	0.151331	13.017559		0.213319	-0.339010	-0.061997
C	0.311090	-0.625102	12.886880		0.219810	-0.393018	0.240850
C	0.598719	-1.587443	13.831866		0.074465	-0.211636	0.491822
C	-0.247200	-1.776287	14.909189		-0.054126	0.012480	0.433396
C	-1.385990	-1.003479	15.039847		-0.067482	0.042584	0.114424
C	-1.678510	-0.043780	14.097660		0.073209	-0.157407	-0.128758
O	1.120954	1.164263	0.269455		0.354369	0.122847	-0.036607
O	-0.696374	0.665887	1.453492		0.103021	0.552693	-0.252636
O	2.787300	3.685263	10.496671		-0.354369	0.122847	0.036607
O	4.604628	3.186887	9.312634		-0.103021	0.552693	0.252636
O	1.266554	3.877737	21.262797		-0.354369	-0.122847	0.036607
O	3.083882	4.376113	20.078760		-0.103021	-0.552693	0.252636
O	-0.399791	1.356737	11.035580		0.354369	-0.122847	-0.036607
O	-2.217119	1.855113	12.219617		0.103021	-0.552693	-0.252636
				60			
Bg, (4.53 THz), IR inactive							
H	2.484705	2.992689	1.272427		-0.053541	-0.086088	0.225117
H	3.005087	4.717905	2.953127		0.249433	-0.064148	0.093450
H	1.502754	5.054272	4.881534		0.326407	0.317438	0.100630
H	-0.534262	3.677791	5.109302		0.104130	0.636059	0.187411
H	-1.053100	1.966592	3.411871		-0.165584	0.590000	0.372311
H	-0.845147	-0.049669	0.734164		0.229238	-0.072720	0.480636
H	1.423549	5.513689	9.493699		-0.053541	0.086088	0.225117
H	0.903167	7.238905	7.812999		0.249433	0.064148	0.093450
H	2.405500	7.575272	5.884592		0.326407	-0.317438	0.100630
H	4.442516	6.198791	5.656824		0.104130	-0.636059	0.187411
H	4.961354	4.487592	7.354254		-0.165584	-0.590000	0.372311
H	4.753401	2.471331	10.031962		0.229238	0.072720	0.480636
H	-0.097197	2.049311	20.259824		0.053541	0.086088	-0.225117
H	-0.617578	0.324095	18.579125		-0.249433	0.064148	-0.093450
H	0.884755	-0.012272	16.650718		-0.326407	-0.317438	-0.100630
H	2.921770	1.364209	16.422950		-0.104130	-0.636059	-0.187411
H	3.440609	3.075408	18.120380		0.165584	-0.590000	-0.372311
H	3.232655	5.091669	20.798088		-0.229238	0.072720	-0.480636
H	0.963960	-0.471689	12.038553		0.053541	-0.086088	-0.225117
H	1.484341	-2.196905	13.719252		-0.249433	-0.064148	-0.093450
H	-0.017992	-2.533272	15.647659		-0.326407	0.317438	-0.100630
H	-2.055007	-1.156791	15.875427		-0.104130	0.636059	-0.187411
H	-2.573845	0.554408	14.177997		0.165584	0.590000	-0.372311
H	-2.365892	2.570669	11.500289		-0.229238	-0.072720	-0.480636
C	0.389497	1.347172	1.238643		-0.144412	0.148596	0.278222
C	0.690090	2.369669	2.251434		-0.123454	0.210358	0.268998
C	1.831836	3.146102	2.120754		-0.023442	0.069577	0.222451
C	2.119465	4.108443	3.065740		0.151625	0.090928	0.151950
C	1.273545	4.297287	4.143064		0.202456	0.307553	0.152236
C	0.134756	3.524479	4.273721		0.085895	0.489763	0.201685
C	-0.157764	2.564780	3.331535		-0.070689	0.439791	0.280565
C	3.518758	3.868172	9.527483		-0.144412	-0.148596	0.278222
C	3.218165	4.890669	8.514692		-0.123454	-0.210358	0.268998
C	2.076419	5.667102	8.645371		-0.023442	-0.069577	0.222451
C	1.788789	6.629443	7.700385		0.151625	-0.090928	0.151950
C	2.634709	6.818287	6.623062		0.202456	-0.307553	0.152236
C	3.773499	6.045479	6.492404		0.085895	-0.489763	0.201685
C	4.066019	5.085780	7.434591		-0.070689	-0.439791	0.280565
C	1.998012	3.694828	20.293609		0.144412	-0.148596	-0.278222
C	1.697419	2.672331	19.280818		0.123454	-0.210358	-0.268998
C	0.555673	1.895898	19.411497		0.023442	-0.069577	-0.222451
C	0.268044	0.933557	18.466511		-0.151625	-0.090928	-0.151950
C	1.113963	0.744713	17.389188		-0.202456	-0.307553	-0.152236
C	2.252753	1.517521	17.258530		-0.085895	-0.489763	-0.201685
C	2.545273	2.477220	18.200717		0.070689	-0.439791	-0.280565
C	-1.131249	1.173828	12.004768		0.144412	0.148596	-0.278222
C	-0.830656	0.151331	13.017559		0.123454	0.210358	-0.268998
C	0.311090	-0.625102	12.886880		0.023442	0.069577	-0.222451
C	0.598719	-1.587443	13.831866		-0.151625	0.090928	-0.151950
C	-0.247200	-1.776287	14.909189		-0.202456	0.307553	-0.152236
C	-1.385990	-1.003479	15.039847		-0.085895	0.489763	-0.201685
C	-1.678510	-0.043780	14.097660		0.070689	0.439791	-0.280565
O	1.120954	1.164263	0.269455		-0.416133	0.349981	0.061981
O	-0.696374	0.665887	1.453492		0.089921	-0.223372	0.537748
O	2.787300	3.685263	10.496671		-0.416133	-0.349981	0.061981
O	4.604628	3.186887	9.312634		0.089921	0.223372	0.537748
O	1.266554	3.877737	21.262797		0.416133	-0.349981	-0.061981
O	3.083882	4.376113	20.078760		-0.089921	0.223372	-0.537748
O	-0.399791	1.356737	11.035580		0.416133	0.349981	-0.061981
O	-2.217119	1.855113	12.219617		-0.089921	-0.223372	-0.537748
				60			
Ag, (4.58 THz), IR inactive							
H	2.484705	2.992689	1.272427		0.139829	-0.094592	-0.180149
H	3.005087	4.717905	2.953127		-0.194144	-0.011417	-0.146257
H	1.502754	5.054272	4.881534		-0.400747	-0.159600	-0.293280
H	-0.534262	3.677791	5.109302		-0.268920	-0.358872	-0.424032
H	-1.053100	1.966592	3.411871		0.047376	-0.430458	-0.486143
H	-0.845147	-0.049669	0.734164		-0.193957	-0.013964	-0.469316
H	1.423549	5.513689	9.493699		-0.139829	-0.094592	0.180149
H	0.903167	7.238905	7.812999		0.194144	-0.011417	0.146257
H	2.405500	7.575272	5.884592		0.400747	-0.159600	0.293280
H	4.442516	6.198791	5.656824		0.268920	-0.358872	0.424032
H	4.961354	4.487592	7.354254		-0.047376	-0.430458	0.486143
H	4.753401	2.471331	10.031962		0.193957	-0.013964	0.469316
H	-0.097197	2.049311	20.259824		-0.139829	0.094592	0.180149
H	-0.617578	0.324095	18.579125		0.194144	0.011417	0.146257
H	0.884755	-0.012272	16.650718		0.400747	0.159600	0.293280
H	2.921770	1.364209	16.422950		0.268920	0.358872	0.424032
H	3.440609	3.075408	18.120380		-0.047376	0.430458	0.486143
H	3.232655	5.091669	20.798088		0.193957	0.013964	0.469316
H	0.963960	-0.471689	12.038553		0.139829	0.094592	-0.180149
H	1.484341	-2.196905	13.719252		-0.194144	0.011417	-0.146257
H	-0.017992	-2.533272	15.647659		-0.400747	0.159600	-0.293280
H	-2.055007	-1.156791	15.875427		-0.268920	0.358872	-0.424032
H	-2.573845	0.554408	14.177997		0.047376	0.430458	-0.486143
H	-2.365892	2.570669	11.500289		-0.193957	0.013964	-0.469316
C	0.389497	1.347172	1.238643		0.156958	-0.196488	-0.278996
C	0.690090	2.369669	2.251434		0.110702	-0.222440	-0.303418
C	1.831836	3.146102	2.120754		0.060309	-0.152290	-0.233777
C	2.119465	4.108443	3.065740		-0.134321	-0.113525	-0.220379
C	1.273545	4.297287	4.143064		-0.257897	-0.199168	-0.300751
C	0.134756	3.524479	4.273721		-0.192727	-0.311023	-0.374604
C	-0.157764	2.564780	3.331535		-0.014698	-0.328382	-0.392883
C	3.518758	3.868172	9.527483		-0.156958	-0.196488	0.278996
C	3.218165	4.890669	8.514692		-0.110702	-0.222440	0.303418
C	2.076419	5.667102	8.645371		-0.060309	-0.152290	0.233777
C	1.788789	6.629443	7.700385		0.134321	-0.113525	0.220379
C	2.634709	6.818287	6.623062		0.257897	-0.199168	0.300751
C	3.773499	6.045479	6.492404		0.192727	-0.311023	0.374604
C	4.066019	5.085780	7.434591		0.014698	-0.328382	0.392883
C	1.998012	3.694828	20.293609		-0.156958	0.196488	0.278996
C	1.697419	2.672331	19.280818		-0.110702	0.222440	0.303418
C	0.555673	1.895898	19.411497		-0.060309	0.152290	0.233777
C	0.268044	0.933557	18.466511		0.134321	0.113525	0.220379
C	1.113963	0.744713	17.389188		0.257897	0.199168	0.300751
C	2.252753	1.517521	17.258530		0.192727	0.311023	0.374604
C	2.545273	2.477220	18.200717		0.014698	0.328382	0.392883
C	-1.131249	1.173828	12.004768		0.156958	0.196488	-0.278996
C	-0.830656	0.151331	13.017559		0.110702	0.222440	-0.303418
C	0.311090	-0.625102	12.886880		0.060309	0.152290	-0.233777
C	0.598719	-1.587443	13.831866		-0.134321	0.113525	-0.220379
C	-0.247200	-1.776287	14.909189		-0.257897	0.199168	-0.300751
C	-1.385990	-1.003479	15.039847		-0.192727	0.311023	-0.374604
C	-1.678510	-0.043780	14.097660		-0.014698	0.328382	-0.392883
O	1.120954	1.164263	0.269455		0.416159	-0.360884	-0.083534
O	-0.696374	0.665887	1.453492		-0.028958	0.124174	-0.501570
O	2.787300	3.685263	10.496671		-0.416159	-0.360884	0.083534
O	4.604628	3.186887	9.312634		0.028958	0.124174	0.501570
O	1.266554	3.877737	21.262797		-0.416159	0.360884	0.083534
O	3.083882	4.376113	20.078760		0.028958	-0.124174	0.501570
O	-0.399791	1.356737	11.035580		0.416159	0.360884	-0.083534
O	-2.217119	1.855113	12.219617		-0.028958	-0.124174	-0.501570
				60			
Bu, (4.64 THz), intensity=0.04							
H	2.484705	2.992689	1.272427		-0.016438	-0.133318	0.066308
H	3.005087	4.717905	2.953127		0.162591	-0.189292	0.074019
H	1.502754	5.054272	4.881534		0.108959	0.068069	-0.012451
H	-0.534262	3.677791	5.109302		-0.068161	0.315135	-0.066101
H	-1.053100	1.966592	3.411871		-0.141741	0.252130	0.040264
H	-0.845147	-0.049669	0.734164		0.071039	-0.199115	0.218066
H	1.423549	5.513689	9.493699		-0.016438	0.133318	0.066308
H	0.903167	7.238905	7.812999		0.162591	0.189292	0.074019
H	2.405500	7.575272	5.884592		0.108959	-0.068069	-0.012451
H	4.442516	6.198791	5.656824		-0.068161	-0.315135	-0.066101
H	4.961354	4.487592	7.354254		-0.141741	-0.252130	0.040264
H	4.753401	2.471331	10.031962		0.071039	0.199115	0.218066
H	-0.097197	2.049311	20.259824		-0.016438	-0.133318	0.066308
H	-0.617578	0.324095	18.579125		0.162591	-0.189292	0.074019
H	0.884755	-0.012272	16.650718		0.108959	0.068069	-0.012451
H	2.921770	1.364209	16.422950		-0.068161	0.315135	-0.066101
H	3.440609	3.075408	18.120380		-0.141741	0.252130	0.040264
H	3.232655	5.091669	20.798088		0.071039	-0.199115	0.218066
H	0.963960	-0.471689	12.038553		-0.016438	0.133318	0.066308
H	1.484341	-2.196905	13.719252		0.162591	0.189292	0.074019
H	-0.017992	-2.533272	15.647659		0.108959	-0.068069	-0.012451
H	-2.055007	-1.156791	15.875427		-0.068161	-0.315135	-0.066101
H	-2.573845	0.554408	14.177997		-0.141741	-0.252130	0.040264
H	-2.365892	2.570669	11.500289		0.071039	0.199115	0.218066
C	0.389497	1.347172	1.238643		-0.092820	0.012419	0.078351
C	0.690090	2.369669	2.251434		-0.066157	0.028525	0.066107
C	1.831836	3.146102	2.120754		-0.002047	-0.063119	0.065119
C	2.119465	4.108443	3.065740		0.080827	-0.073640	0.050450
C	1.273545	4.297287	4.143064		0.057848	0.064644	0.007574
C	0.134756	3.524479	4.273721		-0.035132	0.200801	-0.017554
C	-0.157764	2.564780	3.331535		-0.081617	0.161799	0.032491
C	3.518758	3.868172	9.527483		-0.092820	-0.012419	0.078351
C	3.218165	4.890669	8.514692		-0.066157	-0.028525	0.066107
C	2.076419	5.667102	8.645371		-0.002047	0.063119	0.065119
C	1.788789	6.629443	7.700385		0.080827	0.073640	0.050450
C	2.634709	6.818287	6.623062		0.057848	-0.064644	0.007574
C	3.773499	6.045479	6.492404		-0.035132	-0.200801	-0.017554
C	4.066019	5.085780	7.434591		-0.081617	-0.161799	0.032491
C	1.998012	3.694828	20.293609		-0.092820	0.012419	0.078351
C	1.697419	2.672331	19.280818		-0.066157	0.028525	0.066107
C	0.555673	1.895898	19.411497		-0.002047	-0.063119	0.065119
C	0.268044	0.933557	18.466511		0.080827	-0.073640	0.050450
C	1.113963	0.744713	17.389188		0.057848	0.064644	0.007574
C	2.252753	1.517521	17.258530		-0.035132	0.200801	-0.017554
C	2.545273	2.477220	18.200717		-0.081617	0.161799	0.032491
C	-1.131249	1.173828	12.004768		-0.092820	-0.012419	0.078351
C	-0.830656	0.151331	13.017559		-0.066157	-0.028525	0.066107
C	0.311090	-0.625102	12.886880		-0.002047	0.063119	0.065119
C	0.598719	-1.587443	13.831866		0.080827	0.073640	0.050450
C	-0.247200	-1.776287	14.909189		0.057848	-0.064644	0.007574
C	-1.385990	-1.003479	15.039847		-0.035132	-0.200801	-0.017554
C	-1.678510	-0.043780	14.097660		-0.081617	-0.161799	0.032491
O	1.120954	1.164263	0.269455		-0.527125	0.520655	-0.346667
O	-0.696374	0.665887	1.453492		0.371489	-0.574198	0.550449
O	2.787300	3.685263	10.496671		-0.527125	-0.520655	-0.346667
O	4.604628	3.186887	9.312634		0.371489	0.574198	0.550449
O	1.266554	3.877737	21.262797		-0.527125	0.520655	-0.346667
O	3.083882	4.376113	20.078760		0.371489	-0.574198	0.550449
O	-0.399791	1.356737	11.035580		-0.527125	-0.520655	-0.346667
O	-2.217119	1.855113	12.219617		0.371489	0.574198	0.550449
