%chk=000191022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191022

0 1
S -2.998354 1.424901 1.577617
O -0.390122 -0.782552 0.931425
O -3.182378 0.267979 0.351585
O -2.172662 0.467393 2.637032
O -2.085116 2.413977 1.024624
C 4.571757 1.922717 0.165555
C -1.295448 -1.193309 -0.147344
C -2.128669 0.032071 -0.593961
C 3.240696 1.180278 0.299091
C 5.624685 1.272032 1.086778
C 4.341923 3.389540 0.581561
C 5.114061 1.888864 -1.276794
C -2.855528 -0.231994 -1.921796
C -2.114046 -2.306196 0.526831
C 2.479153 0.803380 -0.811611
C 2.740022 0.894890 1.586938
C 0.790943 -0.126439 0.621681
C 1.250661 0.144349 -0.667141
C 1.525601 0.243041 1.764601
C -1.929403 -0.088867 -3.122446
C -2.331863 -3.419841 -0.355202
C -2.522681 -4.360032 -1.088308
C -2.749936 -5.478665 -1.954381
H -0.682611 -1.582560 -0.990353
H -1.478704 0.941335 -0.655259
H 6.606305 1.739520 0.959824
H 5.359016 1.365449 2.144514
H 5.734940 0.204618 0.867559
H 3.996737 3.468151 1.617521
H 5.259746 3.978596 0.494931
H 3.580743 3.864844 -0.047231
H 4.440003 2.391556 -1.977931
H 5.264306 0.861572 -1.624690
H 6.081275 2.398863 -1.343909
H -3.703159 0.481503 -2.001255
H -3.324440 -1.237113 -1.904305
H -1.579699 -2.639977 1.452539
H -3.092260 -1.894789 0.887505
H 2.827136 1.021149 -1.821975
H 3.313803 1.192085 2.466718
H 0.682824 -0.138124 -1.547638
H 1.140863 0.019038 2.755981
H -1.442697 0.894321 -3.148308
H -2.489588 -0.194211 -4.060411
H -1.143835 -0.852825 -3.131396
H -1.338632 0.020778 2.332793
H -3.019768 -5.155279 -2.974593
H -3.572539 -6.115504 -1.583607
H -1.852861 -6.117114 -2.036561


%chk=000191022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191022

0 1
S -2.993526 1.572463 1.466200
O -0.463842 -0.590529 1.026698
O -3.328873 0.121307 0.269987
O -2.100503 0.656102 2.731222
O -1.931830 2.495558 0.667562
C 4.662472 2.051726 0.227808
C -1.267840 -1.209817 -0.073703
C -2.223245 -0.140405 -0.674669
C 3.298652 1.337414 0.375826
C 5.766227 1.215074 0.942991
C 4.576871 3.461854 0.886977
C 5.075656 2.232558 -1.255364
C -2.893792 -0.529390 -2.012382
C -1.974705 -2.425040 0.579241
C 2.521040 0.917962 -0.729434
C 2.767287 1.086114 1.672797
C 0.776632 0.045002 0.730750
C 1.267556 0.279554 -0.569131
C 1.527495 0.450196 1.857257
C -1.891739 -0.747903 -3.168824
C -2.414210 -3.436387 -0.399608
C -2.778657 -4.304882 -1.197863
C -3.222161 -5.342581 -2.142649
H -0.562341 -1.566141 -0.844112
H -1.646139 0.802451 -0.815597
H 6.745694 1.722152 0.856843
H 5.547342 1.083382 2.017853
H 5.854255 0.210596 0.489849
H 4.326275 3.396005 1.960836
H 5.546995 3.986051 0.796109
H 3.801022 4.077994 0.397084
H 4.345321 2.848040 -1.812632
H 5.182195 1.260887 -1.772650
H 6.052500 2.747448 -1.305720
H -3.584137 0.295448 -2.267379
H -3.507449 -1.434925 -1.865271
H -1.255017 -2.880877 1.285428
H -2.833755 -2.059245 1.171909
H 2.878526 1.092698 -1.748251
H 3.328938 1.393101 2.562283
H 0.700515 -0.004367 -1.460064
H 1.135661 0.263280 2.862308
H -1.223156 0.124925 -3.296570
H -2.436202 -0.888653 -4.119662
H -1.269782 -1.647835 -3.013031
H -1.358545 0.129194 2.249378
H -3.674707 -4.895128 -3.047014
H -3.980666 -6.000333 -1.679767
H -2.378109 -5.978698 -2.467054


