26
PFOA: SCF Energy -53143.605899658935
C     -4.2488100000   -0.2254660000   -0.2202160000
F     -4.2622670000   -1.4458100000    0.2865030000
F     -4.3537680000   -0.2982980000   -1.5314510000
F     -5.2784810000    0.4482600000    0.2530800000
C     -2.9487510000    0.4960060000    0.1815910000
F     -3.0512810000    0.8416650000    1.4613730000
F     -2.8373020000    1.5952800000   -0.5648110000
C     -1.6871650000   -0.3721510000    0.0036400000
F     -1.6186670000   -1.2242270000    1.0257010000
F     -1.7921230000   -1.0619210000   -1.1322370000
C     -0.3906900000    0.4644570000   -0.0481890000
F     -0.2718650000    0.9781910000   -1.2722700000
F     -0.4801700000    1.4551130000    0.8378510000
C      0.8691960000   -0.3683450000    0.2693490000
F      0.9485710000   -0.5300180000    1.5889530000
F      0.7525250000   -1.5613370000   -0.3136760000
C      2.1665200000    0.2981530000   -0.2320380000
F      2.2857380000    0.0600000000   -1.5421480000
F      2.0918310000    1.6128250000   -0.0376410000
C      3.4326750000   -0.2311230000    0.4676390000
F      3.5273500000    0.3299460000    1.6699000000
F      3.3174970000   -1.5543600000    0.6101690000
C      4.6826890000    0.1289200000   -0.3428230000
O      5.1665290000    1.2150900000   -0.2931950000
O      5.0945790000   -0.8839940000   -1.0746230000
H      5.8588590000   -0.5992540000   -1.5848420000
21
C7F14: SCF Energy -45278.005122755545
C      3.4161200000   -0.3488470000   -0.2250840000
F      4.4324070000   -0.2632210000    0.6106220000
F      3.5854550000    0.5260290000   -1.2006110000
F      3.3831350000   -1.5642060000   -0.7327270000
C      2.1130120000   -0.0435900000    0.5379800000
F      2.3215480000    1.0335860000    1.2897370000
F      1.8424500000   -1.0853760000    1.3258260000
C      0.9040210000    0.2240040000   -0.3805920000
F      1.0147070000    1.4579480000   -0.8692850000
F      0.9253930000   -0.6451330000   -1.3917890000
C     -0.4459980000    0.0784580000    0.3530250000
F     -0.3383630000    0.5642210000    1.5902880000
F     -0.7397600000   -1.2230470000    0.4250130000
C     -1.6254380000    0.7901560000   -0.3451310000
F     -1.4933840000    2.1048560000   -0.1487790000
F     -1.5397510000    0.5232120000   -1.6552510000
C     -2.9600260000    0.3536350000    0.1531580000
F     -3.2961020000    0.8644150000    1.3233610000
C     -3.6933530000   -0.7936110000   -0.3513590000
F     -4.9242170000   -0.5677120000   -0.7572280000
F     -3.6457430000   -1.8990410000    0.3628250000
17
C6F11: SCF Energy -36093.53760164107
C     -2.9300280000   -0.4873100000   -0.2559540000
F     -3.0250690000   -0.4617600000   -1.5610210000
F     -2.9747620000   -1.7056090000    0.2154880000
C     -1.8320620000    0.3759890000    0.3102880000
F     -1.8602450000    0.2613820000    1.6393290000
F     -2.0760850000    1.6414290000   -0.0363470000
C     -0.4274440000    0.0036020000   -0.1990060000
F     -0.2726090000   -1.3218580000   -0.0838480000
F     -0.3693510000    0.3256890000   -1.4945300000
C      0.7678900000    0.6606800000    0.5136180000
F      0.5566560000    1.9777720000    0.5813750000
F      0.8353510000    0.1639160000    1.7530370000
C      2.0491070000    0.4135620000   -0.2154990000
F      2.3636340000    1.3293770000   -1.1195080000
F      3.9251600000   -0.8167800000   -0.7289780000
C      2.8282180000   -0.6403500000   -0.0578000000
F      2.5935320000   -1.6110050000    0.7712390000
11
C4F7: SCF Energy -23155.80505652267
C     -1.9050560000    0.0733310000   -0.0000320000
C     -0.5076930000    0.6406590000   -0.0001260000
F     -0.3850410000    1.4288300000    1.0832150000
F     -0.3850990000    1.4285560000   -1.0836760000
C      0.5500810000   -0.4187960000   -0.0000220000
F      2.3484070000    1.0197740000    0.0000500000
C      1.8458900000   -0.1787150000    0.0000260000
F      2.7574930000   -1.1022510000    0.0001530000
F     -2.2174450000   -0.5888120000    1.0853930000
F     -2.2172950000   -0.5895280000   -1.0850650000
F      0.1101640000   -1.6742210000    0.0000320000
9
C3F6: SCF Energy -1872332.356681370
C       -0.25799557       0.44375483       0.14375461
F       -0.29215657       1.68663834       0.60636281
F       -2.54455127       0.42694938      -0.04006626
F        1.70918050      -0.11613014       1.23251559
F        1.10827157      -1.35288709      -0.42062906
C        1.11800663      -0.11380895       0.04286928
F       -1.50218334      -1.36393532      -0.62989115
F        1.86582638       0.62954321      -0.76509864
C       -1.39075833      -0.15645426      -0.16896419
6
C2F4: SCF Energy -12935.873882020574
C     -0.3106910000    0.5779680000    0.0000000000
C      0.3106910000   -0.5779680000    0.0000000000
F     -1.6121510000    0.6932140000    0.0000000000
F      0.3106910000    1.7271700000    0.0000000000
F      1.6121510000   -0.6932140000    0.0000000000
F     -0.3106910000   -1.7271700000    0.0000000000
5
C2F3: SCF Energy -10217.3858143335
C      0.7730020000   -0.6050190000    0.0001490000
C     -0.4148120000   -0.0609870000   -0.0004290000
F     -0.6504390000    1.2306810000    0.0000920000
F     -1.5219920000   -0.7571850000    0.0000920000
F      1.9336380000   -0.0294910000    0.0000020000
4
CF3: SCF Energy -9183.086972120198
C      0.0000000000   -0.0000000000    0.3247020000
F     -0.0000000000    1.2465330000   -0.0721560000
F      1.0795300000   -0.6232670000   -0.0721560000
F     -1.0795300000   -0.6232670000   -0.0721560000
3
CO2: SCF Energy -5129.609520160085
C      0.0000000000    0.0000000000    0.0000000000
O      0.0000000000   -0.0000000000    1.1554200000
O      0.0000000000   -0.0000000000   -1.1554200000
2
HF: SCF Energy -2732.445448043764
H      0.0000000000    0.0000000000   -0.8236360000
F      0.0000000000    0.0000000000    0.0915150000
