11
0.000000 Kcal/mol 0.000000 eV -1492.053944 H	./AU-0001.log  45.3925
3	-0.000853	-0.103452	-1.659298
3	0.000856	-0.104783	1.660077
3	-3.508388	-1.316098	-0.002097
14	-0.000028	1.919930	0.001384
14	1.152883	-1.763152	-0.000803
14	-1.843289	0.489209	0.001813
14	-1.152828	-1.763171	0.000134
3	2.242383	2.885358	-0.000103
14	1.843256	0.489241	-0.000536
3	-2.242416	2.885331	-0.007465
3	3.508447	-1.315954	-0.000414
11
4.702697 Kcal/mol 0.203928 eV -1492.046450 H	./AU-0002.log  66.0620
3	-0.001232	2.676611	-0.143025
3	0.380276	-2.064866	1.677328
3	-2.170341	-0.232575	1.878732
3	-0.011508	0.524451	-1.859328
14	0.049117	0.408269	1.106969
14	-1.073001	-1.276824	-0.352876
3	-3.388418	-0.747322	-0.916591
14	1.297106	-1.164145	-0.507363
14	-1.896848	1.049541	-0.246738
3	3.575349	-0.699095	0.270060
14	1.969885	1.099473	-0.194386
11
5.571245 Kcal/mol 0.241592 eV -1492.045066 H	./AU-0003.log  66.2360
3	-0.017411	0.000369	-1.626661
3	-0.017819	-0.000317	1.626462
14	-0.626518	2.005535	0.000362
3	3.176565	-0.000049	-1.424552
3	-3.025617	2.171897	-0.001196
3	3.176071	-0.000056	1.425228
14	-0.626545	-2.005539	-0.000678
14	1.540618	1.210849	0.000167
14	1.540581	-1.210851	-0.000011
3	-3.025661	-2.171841	0.003235
14	-1.885164	0.000006	-0.000380
11
5.932665 Kcal/mol 0.257265 eV -1492.044490 H	./AU-0004.log  82.4276
3	3.458904	-0.884094	-0.683155
3	-2.104968	-0.114250	1.982305
14	1.166289	-1.355397	-0.142748
3	2.104999	-0.114270	1.982289
14	-1.166312	-1.355381	-0.142778
14	0.000008	0.580069	1.004691
3	0.000015	0.158848	-1.858135
14	-1.931767	0.983007	-0.375626
3	-3.458945	-0.884069	-0.683076
3	0.000014	2.606458	-0.590519
14	1.931779	0.982998	-0.375620
11
7.921617 Kcal/mol 0.343514 eV -1492.041320 H	./AU-0005.log  57.0966
3	-2.604690	-1.622804	1.445803
3	0.145085	0.032667	1.616243
3	-2.589783	2.602374	-0.001753
14	1.804499	1.038898	-0.000312
3	0.144667	0.032458	-1.616279
14	-0.619910	-1.868141	0.000133
3	-2.605526	-1.622766	-1.444482
14	1.630285	-1.327207	-0.000070
14	-1.770337	0.257789	0.000291
3	3.830742	-0.301891	0.000343
14	-0.256072	2.087225	-0.000015
11
11.514539 Kcal/mol 0.499318 eV -1492.035594 H	./AU-0006.log  52.0806
14	1.684059	-1.009776	-0.000048
3	-0.098012	-0.170726	-1.613471
14	-1.150738	1.526565	0.000327
3	-0.097891	-0.171002	1.613669
14	-0.267902	-2.304752	-0.000077
3	0.122413	3.602030	-0.000898
3	3.037798	0.445578	-1.450795
14	1.184091	1.364945	0.000142
14	-1.967503	-0.698942	0.000132
3	3.037892	0.445285	1.450902
3	-3.584900	1.084647	-0.001627
11
13.474720 Kcal/mol 0.584320 eV -1492.032471 H	./AU-0007.log  45.2229
14	-1.891651	0.937021	-0.000723
3	-0.000432	0.252326	1.608743
14	1.891518	0.937047	0.000418
3	-0.001270	-2.993503	1.457575
14	1.193186	-1.342943	0.000229
14	-1.192953	-1.342730	-0.000991
14	-0.000073	2.296442	0.000079
3	-3.618526	-0.723320	0.003938
3	0.000541	0.252720	-1.609330
3	0.000762	-2.994812	-1.456844
3	3.618794	-0.722651	0.000530
11
16.410095 Kcal/mol 0.711610 eV -1492.027793 H	./AU-0008.log  105.9391
3	-3.057034	-0.819427	-1.415221
3	3.056662	-0.819180	1.415697
14	-1.775032	0.771404	-0.000052
3	3.056826	-0.819640	-1.415348
3	-3.057194	-0.818967	1.415253
14	1.775174	0.771433	-0.000069
14	0.000018	2.308878	0.000016
14	1.154896	-1.591328	-0.000001
3	0.000193	0.077160	-1.591082
3	0.000186	0.077011	1.590891
14	-1.154979	-1.591162	0.000065
