%chk=000281347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281347

0 1
S 3.694738 -1.804123 -0.491984
O -5.031516 2.472433 0.717356
O -3.786492 1.301287 2.159623
O -5.919692 -0.846962 0.859130
O 3.864689 -2.783962 -1.550158
O 4.299492 -2.028049 0.790974
N -2.699208 0.253970 -0.434186
N -2.104572 -0.688504 0.115855
N 4.437754 -0.420798 -1.259320
N 3.710836 1.045156 0.425864
C -4.146925 0.408874 -0.147242
C -4.785495 1.192843 -1.315690
C -5.508611 2.377776 -0.659783
C -4.268733 1.380252 1.069553
C -4.983270 -0.882102 0.103448
C -4.598523 -2.088518 -0.683763
C -0.683867 -0.852566 -0.098269
C 2.023970 -1.429126 -0.338791
C 0.172367 -0.586406 0.981128
C -0.202580 -1.404396 -1.299159
C 1.532118 -0.880745 0.851841
C 1.157262 -1.693313 -1.406938
C 4.475961 0.863736 -0.703171
C 5.237015 1.909791 -1.286011
C 5.206761 3.159000 -0.674683
C 3.709600 2.278336 0.995572
C 4.438696 3.357931 0.480818
H -5.476876 0.571811 -1.911980
H -4.007486 1.545385 -2.026157
H -5.264129 3.355881 -1.105667
H -6.601484 2.243043 -0.583407
H -4.226689 -1.866202 -1.690108
H -3.802173 -2.651713 -0.160545
H -5.447707 -2.785203 -0.778950
H -0.217558 -0.159813 1.907156
H -0.877186 -1.602036 -2.129135
H 2.215417 -0.677643 1.689369
H 1.545401 -2.135935 -2.333154
H 4.999651 -0.571773 -2.108167
H 5.830023 1.737609 -2.177725
H 5.783275 3.985079 -1.094255
H 3.093162 2.381133 1.897590
H 4.410785 4.326764 0.969424


%chk=000281347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281347

0 1
S 3.567312 -1.435400 -1.330733
O -5.543138 2.465247 -0.752477
O -3.587428 2.495066 0.495921
O -5.918033 0.070923 1.422374
O 3.611530 -2.031336 -2.846409
O 4.205279 -2.259435 -0.092256
N -3.081514 -0.055868 -0.966451
N -2.232766 -0.175709 0.012500
N 4.394870 0.207326 -1.606987
N 4.151456 0.907973 0.628822
C -4.432949 0.321602 -0.485835
C -5.459893 0.228948 -1.648661
C -6.401715 1.424278 -1.396195
C -4.432169 1.870815 -0.150946
C -4.996896 -0.455988 0.748983
C -4.491768 -1.858707 1.017505
C -0.880328 -0.459320 -0.395782
C 1.775417 -0.991281 -0.934908
C 0.052461 -0.536896 0.670301
C -0.468262 -0.656476 -1.743543
C 1.411600 -0.804185 0.405870
C 0.882449 -0.933805 -2.021264
C 4.831281 1.018590 -0.550706
C 5.895136 1.947243 -0.746582
C 6.233864 2.801547 0.319269
C 4.513828 1.732237 1.651538
C 5.536810 2.699041 1.548274
H -6.006253 -0.728662 -1.677937
H -4.901445 0.345581 -2.593652
H -6.805994 1.877347 -2.313221
H -7.212342 1.186086 -0.688600
H -4.296171 -2.413053 0.082372
H -3.530213 -1.795549 1.558641
H -5.223775 -2.394237 1.641869
H -0.306073 -0.370585 1.690426
H -1.211265 -0.591013 -2.543341
H 2.166907 -0.848991 1.194060
H 1.241839 -1.118895 -3.038538
H 4.942186 0.152276 -2.475898
H 6.427781 1.996553 -1.701713
H 7.041359 3.530853 0.196068
H 3.953685 1.604417 2.584522
H 5.781540 3.339645 2.399622


