%chk=000281116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281116

0 1
Cl 0.464725 -2.191175 1.305780
S -6.271205 -1.613604 0.883828
F -6.297678 -2.638546 -0.325179
O -4.953919 -1.779509 1.422643
O -7.443256 -1.955569 1.636163
N 4.792234 0.108251 -0.207137
N 7.206346 0.265497 0.443239
N 6.508953 0.294400 -1.903473
N 4.250472 0.358079 -2.557166
N 8.773322 0.657255 -1.279852
C 5.838095 0.108376 0.944065
C -1.690842 0.208044 0.008430
C -0.780503 0.600407 1.183840
C -3.165007 0.454607 0.348812
C 3.392346 0.234780 0.129534
C 0.667693 0.465657 0.813544
C -4.084392 -0.008055 -0.796574
C 5.521670 1.279985 1.883370
C 5.723958 -1.246694 1.656755
C 5.220122 0.246930 -1.539199
C 2.675107 -0.910487 0.506848
C 2.754887 1.487680 0.073663
C 1.327633 -0.772795 0.844406
C 1.407440 1.592355 0.414324
C -5.471889 0.545209 -0.627756
C 7.466290 0.381434 -0.847230
C -6.483662 -0.108613 0.090097
C -5.754162 1.793852 -1.222755
C -7.759783 0.479812 0.194437
C -7.016220 2.367459 -1.110263
C -8.030262 1.707123 -0.398414
H -1.534190 -0.862837 -0.237319
H -1.402890 0.776795 -0.896019
H -1.002772 1.638351 1.506352
H -1.017401 -0.030119 2.069533
H -3.333541 1.525267 0.568417
H -3.435465 -0.105719 1.274245
H -4.068836 -1.117786 -0.843158
H -3.663226 0.312449 -1.773613
H 6.296982 1.348844 2.661388
H 5.531063 2.240242 1.354496
H 4.554993 1.170094 2.382571
H 5.812659 -2.085128 0.956793
H 4.783980 -1.351235 2.205781
H 6.546596 -1.353071 2.380018
H 3.161606 -1.887084 0.539265
H 3.316564 2.369774 -0.237685
H 0.918494 2.566741 0.371726
H -4.970290 2.312902 -1.774410
H 4.611809 0.296618 -3.506816
H 3.371200 -0.124556 -2.427155
H -8.551953 -0.036687 0.755385
H -7.222281 3.333265 -1.576060
H -9.019287 2.154835 -0.312981
H 9.517596 0.445583 -0.628386
H 8.982575 0.452314 -2.247747


%chk=000281116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281116

0 1
Cl 0.358787 -1.849525 1.805110
S -6.038118 -1.926980 0.419069
F -5.608778 -2.554191 -1.288215
O -4.656739 -1.994018 1.238566
O -7.325295 -2.754641 0.909483
N 4.842649 0.091138 -0.124062
N 7.221253 0.554597 0.401366
N 6.532309 -0.314759 -1.790140
N 4.283547 -0.620850 -2.323213
N 8.700708 0.458366 -1.416129
C 5.935287 0.131872 0.974475
C -1.719171 0.545867 -0.032570
C -0.783359 1.025462 1.112882
C -3.203943 0.834537 0.275089
C 3.454029 0.307111 0.181593
C 0.681876 0.765615 0.814088
C -4.129518 0.382145 -0.890534
C 5.531597 1.153791 2.054145
C 6.075149 -1.292411 1.581147
C 5.252801 -0.284742 -1.399040
C 2.668573 -0.725549 0.757592
C 2.849249 1.561486 -0.088037
C 1.317128 -0.476221 1.060116
C 1.492565 1.775016 0.225891
C -5.590840 0.707631 -0.632404
C 7.451011 0.232087 -0.865852
C -6.541120 -0.177870 -0.076234
C -6.098338 2.000882 -0.939952
C -7.893714 0.121132 0.170929
C -7.443509 2.354242 -0.702407
C -8.347055 1.418033 -0.147525
H -1.578797 -0.541279 -0.185265
H -1.423823 1.046779 -0.977162
H -0.936268 2.110396 1.270886
H -1.079108 0.510745 2.045937
H -3.346158 1.918880 0.460400
H -3.499643 0.300599 1.197591
H -3.987315 -0.698836 -1.064638
H -3.815311 0.901111 -1.816360
H 6.349346 1.199088 2.791706
H 5.417995 2.157093 1.610091
H 4.597573 0.871918 2.570394
H 6.314632 -2.024781 0.789592
H 5.151605 -1.605182 2.102087
H 6.903612 -1.290142 2.310531
H 3.111987 -1.704181 0.960501
H 3.456550 2.356152 -0.532522
H 1.038131 2.752096 0.023031
H -5.411481 2.729907 -1.385044
H 4.604269 -0.833504 -3.264343
H 3.307277 -0.735552 -2.065285
H -8.564910 -0.635561 0.589137
H -7.792567 3.360247 -0.957923
H -9.392343 1.687278 0.031515
H 9.439039 0.836325 -0.830228
H 8.839184 0.283148 -2.406454


