%chk=000223574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223574

0 1
S 2.907689 -1.079104 -0.600536
O 1.736469 -0.183525 0.269077
O 2.653517 -0.836933 -1.996663
O 2.871669 -2.412200 -0.069481
C -3.889636 -1.023957 -0.090397
C -4.709429 1.528077 0.221354
C -4.660948 0.055688 0.717516
C -2.377987 -0.790324 -0.050256
C -4.136455 -2.393011 0.597398
C -4.433817 -1.122243 -1.524802
C -5.226042 2.385994 1.404540
C -5.696827 1.693563 -0.951255
C -3.330717 2.057995 -0.197839
C -1.754295 -0.546113 1.189607
C -1.578349 -0.857033 -1.200214
C -0.376606 -0.369958 1.286456
C -0.193396 -0.676262 -1.136192
C 0.388537 -0.438201 0.111609
C 4.291155 -0.220722 -0.055731
C 4.972351 -0.651036 1.089129
C 4.732022 0.908357 -0.756080
C 6.097198 0.048763 1.533797
C 5.856995 1.607905 -0.310958
C 6.537195 1.178228 0.834134
H -5.707631 -0.292347 0.827176
H -4.249695 0.059406 1.747952
H -3.829254 -2.386449 1.647181
H -3.567843 -3.187319 0.100899
H -5.192537 -2.675163 0.563321
H -3.956999 -1.930077 -2.089279
H -5.510797 -1.325030 -1.519930
H -4.286424 -0.183203 -2.076201
H -4.542906 2.347072 2.257813
H -6.209061 2.051109 1.746628
H -5.322160 3.437523 1.116956
H -6.676218 1.266591 -0.719846
H -5.846895 2.749433 -1.197003
H -5.324700 1.200729 -1.858252
H -3.370878 3.121356 -0.452403
H -2.591799 1.938852 0.601963
H -2.941080 1.528531 -1.074061
H -2.360298 -0.491588 2.095559
H -2.024737 -1.051845 -2.175921
H 0.110651 -0.181151 2.239184
H 0.410524 -0.715293 -2.046727
H 4.629898 -1.538519 1.634045
H 4.201796 1.241942 -1.655576
H 6.629329 -0.284784 2.424035
H 6.202134 2.486619 -0.854770
H 7.414588 1.725757 1.182646


%chk=000223574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223574

0 1
S 3.056483 -1.397558 0.029442
O 1.764917 0.185556 0.116109
O 3.008024 -2.042696 -1.465072
O 2.865126 -2.345483 1.340089
C -3.893459 -0.946525 -0.321428
C -4.994855 1.497345 0.363602
C -4.749549 -0.031475 0.633985
C -2.381820 -0.632609 -0.229743
C -4.083890 -2.415096 0.193606
C -4.416188 -0.910321 -1.779941
C -5.486848 2.103128 1.711832
C -6.118087 1.728262 -0.687321
C -3.715131 2.256279 -0.073492
C -1.734181 -0.612073 1.042272
C -1.575225 -0.419211 -1.382638
C -0.355968 -0.378113 1.164843
C -0.192349 -0.180998 -1.281279
C 0.426721 -0.134685 -0.001118
C 4.622782 -0.378288 0.222395
C 5.133780 -0.200481 1.518117
C 5.208550 0.152299 -0.938396
C 6.318124 0.560408 1.651288
C 6.391469 0.910685 -0.781168
C 6.939480 1.115391 0.507471
H -5.749317 -0.509182 0.712074
H -4.303642 -0.115593 1.645479
H -3.806719 -2.513359 1.258620
H -3.458074 -3.117710 -0.385911
H -5.141628 -2.720631 0.086499
H -3.944015 -1.703932 -2.388758
H -5.506322 -1.087888 -1.789051
H -4.229105 0.056876 -2.277748
H -4.698128 2.042622 2.485461
H -6.377730 1.564996 2.088996
H -5.760685 3.167714 1.587055
H -7.050359 1.210740 -0.389949
H -6.343888 2.808752 -0.768418
H -5.836450 1.372220 -1.691782
H -3.932113 3.338155 -0.162289
H -2.898104 2.131887 0.660165
H -3.339221 1.908073 -1.051666
H -2.318227 -0.787127 1.952508
H -2.029863 -0.440205 -2.376949
H 0.138589 -0.368833 2.141459
H 0.425466 -0.020662 -2.170766
H 4.635171 -0.652413 2.381242
H 4.767812 -0.034151 -1.922522
H 6.750394 0.717907 2.644725
H 6.879938 1.339022 -1.662347
H 7.855614 1.705081 0.620024


