%chk=000299524.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299524

0 1
S 3.647949 -1.120927 0.318296
O -3.299658 0.041393 -1.010251
O -5.527644 0.978021 1.326052
O -4.643867 -2.557032 -1.323812
N -1.141039 0.221877 -0.095937
N 0.387911 -1.449431 0.341744
N 0.457525 2.094894 -0.514443
N 2.820794 1.354331 -0.283158
N 2.258093 3.613282 -0.724443
C -2.430031 0.928838 -0.297890
C -4.278321 0.292770 1.186899
C -3.110468 1.282007 1.034521
C -4.391757 -0.434417 -0.172810
C -4.277749 -1.960663 -0.081287
C 0.126782 0.803861 -0.212026
C -0.907774 -1.160653 0.238387
C 1.076299 -0.252901 0.071298
C 2.441541 0.096264 0.012932
C 1.822467 2.313891 -0.518267
C 5.234197 -0.236577 0.154035
C 6.230709 -1.175256 0.740726
C 7.003674 -1.976549 0.008421
H -2.258979 1.795636 -0.986167
H -4.147760 -0.391083 2.050019
H -3.491366 2.323447 1.001996
H -2.410108 1.246436 1.887814
H -5.313694 -0.127083 -0.726613
H -5.011748 -2.388643 0.630423
H -3.248796 -2.281478 0.192247
H -5.591742 1.416265 2.198848
H -1.740952 -1.849787 0.356213
H -4.061248 -2.214937 -2.043760
H 3.235615 3.770441 -0.921940
H 1.602637 4.293304 -1.081397
H 5.425079 0.007842 -0.909314
H 5.202535 0.734795 0.690074
H 6.289481 -1.163726 1.832964
H 7.727047 -2.654364 0.440172
H 6.973367 -2.023187 -1.071467


%chk=000299524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299524

0 1
S 3.668438 -1.588634 0.114312
O -3.238878 0.257495 -0.857104
O -5.423424 0.416159 2.038273
O -5.145567 -1.505241 -2.066747
N -1.071112 0.145236 0.192133
N 0.362781 -1.611483 0.581345
N 0.550021 1.827502 -0.613561
N 2.847270 0.945080 -0.641971
N 2.366945 3.131572 -1.330227
C -2.304007 0.935017 0.066677
C -4.185779 0.032200 1.359435
C -3.082388 1.121813 1.392014
C -4.504674 -0.093694 -0.143682
C -4.920485 -1.485323 -0.622886
C 0.206747 0.601079 -0.149978
C -0.909633 -1.192685 0.618648
C 1.084441 -0.498420 0.104069
C 2.457234 -0.263495 -0.170501
C 1.899542 1.931039 -0.846913
C 5.285712 -0.717845 -0.436553
C 6.231389 -0.563264 0.719024
C 7.452618 -1.153132 0.792617
H -1.989463 1.890584 -0.386011
H -3.804268 -0.930944 1.762394
H -3.584141 2.106025 1.385260
H -2.419228 1.064820 2.270427
H -5.278638 0.651581 -0.410421
H -5.883244 -1.765554 -0.163923
H -4.143911 -2.225973 -0.328305
H -5.295666 0.370826 3.018714
H -1.752545 -1.811900 0.914983
H -4.325254 -1.154609 -2.501286
H 3.359087 3.238308 -1.519314
H 1.708996 3.884715 -1.509022
H 5.704969 -1.332154 -1.248329
H 4.931683 0.254138 -0.827729
H 5.885673 0.083886 1.537198
H 8.116372 -0.990736 1.648659
H 7.821387 -1.813089 -0.002621


