%chk=000293140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293140

0 1
S 0.437606 2.587112 -0.991450
S -3.083954 0.719790 0.816920
O -0.814246 2.025856 -1.530106
O 1.069166 3.643241 -1.746074
O -4.293629 0.373456 1.532958
O -2.174059 1.667695 1.486755
O 2.926648 -3.581333 -1.918100
O 0.597321 -4.900764 1.765077
O -2.155799 4.511764 2.220370
O -4.863640 2.961756 -3.071331
N 0.110934 3.142523 0.591595
N -3.513686 1.406266 -0.681653
N 3.381558 -2.439477 0.034205
N 0.342465 -3.989054 -0.342735
C 1.493616 1.244078 -0.745982
C -2.174487 -0.687944 0.433959
C 3.404230 -4.910118 0.032042
C 2.083545 -5.686847 0.032092
C 2.859438 -1.155924 -0.311643
C -0.561004 -2.923868 -0.053304
C 1.648350 0.319594 -1.788163
C -2.016855 -1.677955 1.415491
C 2.134084 1.014897 0.477389
C -1.557481 -0.849942 -0.813113
C 2.335552 -0.874955 -1.587105
C -1.208539 -2.789412 1.188442
C 2.816315 -0.178124 0.706938
C -0.765578 -1.965330 -1.070785
C 3.233332 -3.612503 -0.742986
C 0.943530 -4.851888 0.605886
C -0.223527 4.588126 0.728200
C -4.833195 2.078412 -0.787060
C -0.777225 4.870142 2.136709
C -5.369474 1.925977 -2.220880
H 3.758436 -4.758969 1.072127
H 4.194807 -5.519937 -0.462634
H 1.850514 -6.055335 -0.990273
H 2.189406 -6.603451 0.656802
H 1.208439 0.518526 -2.772241
H -2.529770 -1.583189 2.380423
H 2.088603 1.762113 1.279923
H -1.668999 -0.088269 -1.600873
H -0.570064 2.556151 1.142334
H -2.765511 1.919220 -1.202003
H 2.452079 -1.590142 -2.408011
H -1.072910 -3.545495 1.969315
H 3.284954 -0.351975 1.672949
H -0.293583 -2.076381 -2.045646
H 0.702837 5.181382 0.548950
H -0.975987 4.925253 -0.022984
H -4.769213 3.162599 -0.532462
H -5.555762 1.619438 -0.068205
H 3.742597 -2.529299 0.989752
H 0.674489 -4.034566 -1.319437
H -0.205872 4.344769 2.923121
H -0.786009 5.957062 2.347629
H -5.125471 0.939825 -2.655006
H -6.463292 2.092904 -2.259646
H -2.266239 3.519688 2.150954
H -3.894291 2.873131 -3.181319


%chk=000293140-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293140

0 1
S 0.270626 2.844469 -1.035381
S -3.273571 0.639929 0.788832
O -1.069408 2.410362 -1.937452
O 1.156631 4.076723 -1.597639
O -4.771780 0.385826 1.345924
O -2.301235 1.660600 1.689722
O 2.426395 -3.755231 -2.217876
O 1.679811 -4.195318 2.074470
O -2.444424 4.280560 2.521041
O -3.357436 3.668454 -2.813588
N -0.121813 3.198708 0.715859
N -3.412582 1.135997 -0.966904
N 3.171493 -2.461061 -0.397440
N 0.235306 -4.294042 0.217941
C 1.224615 1.234189 -0.868489
C -2.241245 -0.922890 0.638021
C 3.513860 -4.895877 -0.342523
C 2.270942 -5.673496 0.212003
C 2.551851 -1.205977 -0.639109
C -0.624909 -3.185883 0.441255
C 1.038799 0.266880 -1.870613
C -1.296477 -1.169084 1.648644
C 2.088023 1.047965 0.225353
C -2.443602 -1.791562 -0.449071
C 1.716458 -0.963638 -1.764273
C -0.485440 -2.317190 1.558801
C 2.749620 -0.188195 0.336255
C -1.620126 -2.928114 -0.543402
C 3.020970 -3.658453 -1.102863
C 1.359553 -4.685736 0.950686
C -0.485542 4.622596 0.987064
C -4.528039 2.090612 -1.247570
C -1.055747 4.697669 2.428048
C -4.348285 2.611731 -2.697914
H 4.181128 -4.630947 0.496592
H 4.066718 -5.548150 -1.038922
H 1.752238 -6.171520 -0.626346
H 2.613581 -6.444022 0.922346
H 0.359567 0.463332 -2.705799
H -1.181995 -0.464932 2.478413
H 2.206186 1.828062 0.981990
H -3.192885 -1.565447 -1.212335
H -0.882917 2.521418 0.998299
H -2.468505 1.519945 -1.247981
H 1.594583 -1.737929 -2.523129
H 0.259555 -2.539118 2.324133
H 3.402336 -0.371272 1.198106
H -1.735997 -3.604014 -1.398956
H 0.426091 5.236842 0.896672
H -1.256787 5.017303 0.295767
H -4.536258 2.967743 -0.569871
H -5.483031 1.548456 -1.144450
H 3.660653 -2.536724 0.498549
H 0.112648 -4.763371 -0.683478
H -0.395594 4.129191 3.118343
H -1.048420 5.757743 2.734954
H -4.136406 1.756467 -3.375412
H -5.302185 3.072286 -3.007655
H -2.539795 3.295312 2.350979
H -2.432297 3.322121 -2.632524


