%chk=000222627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222627

0 1
S 4.063901 -1.091753 -2.158506
P 4.466360 -0.364576 -0.447094
O -5.481774 -0.273257 -2.405899
O 3.587222 -0.937785 0.834830
O 5.974266 -0.605164 0.137266
O 4.312398 1.250451 -0.237928
C -4.196627 0.787866 0.771997
C -4.963595 -0.323363 -0.007612
C -2.663487 0.752570 0.578042
C -2.099010 -0.679347 0.728319
C -4.239363 -1.670749 -0.140057
C -4.766402 2.114557 0.196098
C -2.733589 -1.549230 -0.372433
C -1.960173 1.680371 1.584152
C -5.223853 0.320780 -1.390005
C -5.124285 1.830864 -1.268765
C -6.346040 -0.559926 0.626019
C -0.584846 -0.700120 0.697281
C -0.472162 1.791909 1.238535
C 0.172090 0.459903 0.966500
C 0.081373 -1.913172 0.454594
C 1.573968 0.399125 0.969992
C 1.473560 -1.995522 0.453906
C 2.193262 -0.825404 0.713460
C 6.468254 -1.987729 0.121782
C 4.770783 2.099648 -1.344679
C 7.880658 -1.842693 0.653909
C 4.464845 3.496088 -0.838507
H -4.426211 0.704240 1.855765
H -2.429598 1.106765 -0.457524
H -2.404056 -1.085062 1.728617
H -4.697752 -2.239574 -0.978775
H -4.420669 -2.277181 0.769613
H -4.045386 2.944044 0.284302
H -5.659497 2.425656 0.765202
H -2.280283 -2.560070 -0.387188
H -2.524898 -1.118392 -1.371189
H -2.082307 1.292998 2.613950
H -2.422630 2.685062 1.580391
H -4.356941 2.215786 -1.966120
H -6.068524 2.312423 -1.577461
H -6.254585 -0.971797 1.637129
H -6.929511 0.364243 0.702038
H -6.936361 -1.272021 0.034544
H 0.061211 2.312535 2.060914
H -0.339471 2.436312 0.342068
H -0.500336 -2.816514 0.255960
H 2.177107 1.285267 1.172549
H 1.989171 -2.932541 0.257635
H 5.831127 -2.598468 0.789900
H 6.450033 -2.379740 -0.914132
H 5.855161 1.939559 -1.495183
H 4.201622 1.853272 -2.262953
H 8.369561 -2.816832 0.765989
H 8.496695 -1.223169 -0.012113
H 7.882121 -1.343093 1.633985
H 4.816210 4.261967 -1.539219
H 3.386327 3.638187 -0.687073
H 4.944637 3.675995 0.134782


%chk=000222627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222627

0 1
S 4.386175 -0.915047 -2.473667
P 4.664661 -0.305685 -0.520952
O -5.695358 -0.370938 -2.346827
O 3.594622 -0.923889 0.710933
O 6.164380 -0.691811 0.229616
O 4.576081 1.383141 -0.183092
C -4.313097 0.779510 0.814249
C -5.107894 -0.348051 0.074308
C -2.780544 0.747904 0.539178
C -2.195721 -0.683610 0.687490
C -4.396232 -1.717638 -0.034077
C -4.961666 2.096798 0.266899
C -2.888846 -1.614510 -0.341044
C -2.005966 1.724394 1.452632
C -5.392590 0.275266 -1.314744
C -5.270047 1.803377 -1.223447
C -6.506674 -0.562096 0.737522
C -0.659549 -0.703906 0.625823
C -0.545247 1.845974 0.977279
C 0.115172 0.484615 0.781387
C 0.026933 -1.938284 0.477917
C 1.528905 0.410849 0.770445
C 1.433145 -2.017563 0.461527
C 2.173869 -0.828937 0.609296
C 6.669657 -2.096430 0.129374
C 5.182473 2.340596 -1.160059
C 8.087915 -2.075281 0.690110
C 4.663713 3.723681 -0.779733
H -4.465652 0.691361 1.909169
H -2.606718 1.064209 -0.514692
H -2.483372 -1.050986 1.701065
H -4.906700 -2.303911 -0.822151
H -4.529033 -2.264981 0.921776
H -4.297788 2.969475 0.389690
H -5.893560 2.323960 0.815649
H -2.456811 -2.631213 -0.320346
H -2.720542 -1.221062 -1.363413
H -2.035232 1.347251 2.495512
H -2.477938 2.725061 1.457855
H -4.443851 2.118885 -1.889888
H -6.183163 2.290453 -1.609184
H -6.371547 -0.918773 1.775340
H -7.111352 0.362129 0.770963
H -7.079365 -1.322921 0.177550
H 0.048999 2.444591 1.693636
H -0.524167 2.402653 0.016693
H -0.544924 -2.866570 0.377089
H 2.135621 1.313726 0.902323
H 1.952851 -2.973069 0.346073
H 6.001297 -2.747833 0.722505
H 6.644918 -2.412209 -0.931627
H 6.282427 2.273990 -1.069814
H 4.879849 2.049020 -2.184238
H 8.515601 -3.094573 0.660505
H 8.733459 -1.406471 0.096180
H 8.087564 -1.726194 1.736322
H 5.101137 4.482628 -1.454614
H 3.564948 3.767537 -0.869481
H 4.944480 3.975602 0.256812


