%chk=000238662.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238662

0 1
S 2.240541 -0.876826 -3.277769
O 2.770541 1.876268 0.425412
O -1.704635 0.947997 1.283941
O 3.929698 0.349614 1.634023
O -0.780717 -1.030612 2.013068
N 0.486015 0.603954 0.924726
C 1.698275 -0.226232 0.793747
C 1.818629 -0.940915 -0.568605
C 1.779930 0.003773 -1.758685
C 2.932541 0.655722 1.030619
C -0.674230 0.039817 1.449077
C -3.017538 0.538058 1.791347
C 3.853634 2.857477 0.544664
C -3.730025 -0.270132 0.745459
C 4.043071 -0.939026 -3.190311
C -4.657851 0.340828 -0.109573
C -3.466263 -1.642953 0.625388
C 4.958390 2.519133 -0.432667
C -5.326245 -0.421725 -1.072071
C -4.134984 -2.399902 -0.339188
C -5.066963 -1.791137 -1.186833
H 1.684790 -1.012003 1.612798
H 0.997889 -1.689113 -0.648609
H 2.753457 -1.542689 -0.566141
H 2.428056 0.890489 -1.604354
H 0.755843 0.395072 -1.931182
H 0.443411 1.470825 0.385549
H -3.478940 1.525328 1.983908
H -2.883425 -0.014293 2.741558
H 3.314636 3.789680 0.294680
H 4.199843 2.870465 1.593742
H 4.399250 -1.476771 -4.080288
H 4.396724 -1.478537 -2.305636
H 4.488786 0.060644 -3.196639
H -4.857218 1.408128 -0.029944
H -2.727295 -2.112233 1.282795
H 5.461533 1.580221 -0.155257
H 4.576845 2.398012 -1.454170
H 5.725049 3.304038 -0.455366
H -6.047986 0.052952 -1.734486
H -3.928844 -3.465250 -0.431111
H -5.588516 -2.383143 -1.937019


%chk=000238662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238662

0 1
S 2.011957 -1.635511 -3.041733
O 2.650564 2.204031 0.805653
O -1.545461 0.731390 1.539654
O 4.324265 0.587498 0.997523
O -0.480178 -1.366367 1.808943
N 0.664947 0.536164 1.057282
C 1.972093 -0.124955 0.982169
C 2.098161 -1.111427 -0.226492
C 1.932471 -0.425509 -1.591037
C 3.113094 0.893837 0.942079
C -0.445505 -0.145852 1.489346
C -2.856387 0.096899 1.911015
C 3.689082 3.281786 0.707754
C -3.621557 -0.352601 0.685146
C 3.845657 -2.066650 -2.988407
C -4.572626 0.505296 0.077040
C -3.392974 -1.637921 0.127394
C 4.156823 3.449145 -0.739618
C -5.282225 0.091572 -1.072464
C -4.100083 -2.051740 -1.022999
C -5.046331 -1.188913 -1.625088
H 2.117854 -0.735576 1.895379
H 1.325630 -1.889257 -0.097701
H 3.087802 -1.597457 -0.151142
H 2.703889 0.347762 -1.763110
H 0.938860 0.046579 -1.679434
H 0.604032 1.537625 0.866418
H -3.378715 0.903947 2.448712
H -2.640793 -0.745799 2.590329
H 3.167656 4.175498 1.085085
H 4.525511 3.014728 1.376634
H 4.046394 -2.670139 -3.887451
H 4.090916 -2.653810 -2.090053
H 4.451083 -1.146020 -3.021341
H -4.754605 1.499381 0.504222
H -2.652846 -2.297807 0.594393
H 4.691102 2.548966 -1.086744
H 3.303462 3.644612 -1.411517
H 4.851124 4.306986 -0.806525
H -6.016407 0.761399 -1.534103
H -3.915849 -3.044566 -1.448333
H -5.596185 -1.512219 -2.516281


