%chk=000195334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195334

0 1
S 1.926171 1.343242 -1.769814
O 3.625367 0.520079 1.487852
O 4.803902 -1.360919 1.225113
O -4.082576 -2.877352 0.307483
N 2.499836 -1.113326 -0.949921
N -2.196943 2.296784 0.177827
C 1.318329 -0.232323 -0.998478
C 0.765597 0.056579 0.398085
C 3.766537 -0.352024 -0.765867
C 3.644850 1.109663 -1.213797
C -0.564174 0.706712 0.315830
C -1.837508 0.032206 0.286531
C -2.850206 1.048951 0.198529
C -0.814045 2.074476 0.246673
C 4.130672 -0.500095 0.715928
C -2.218599 -1.323233 0.326103
C -4.226044 0.739187 0.148788
C -3.577272 -1.594251 0.276670
C -4.587599 -0.590931 0.187678
H 0.522852 -0.659703 -1.658385
H 1.478359 0.677689 0.988969
H 0.692564 -0.899935 0.965602
H 4.594208 -0.863980 -1.334940
H 2.561189 -1.706598 -1.786584
H 3.865262 1.824038 -0.395404
H 4.325288 1.345911 -2.050627
H -0.105752 2.887024 0.237398
H -2.647435 3.186866 0.112430
H -1.469001 -2.101624 0.396088
H -4.971504 1.527116 0.082279
H -5.628089 -0.908422 0.153628
H 3.844917 0.408675 2.453644
H -3.367253 -3.553183 0.381585


%chk=000195334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195334

0 1
S 1.892180 1.301925 -1.968001
O 3.861184 0.092849 1.635442
O 5.447523 -1.357265 0.762610
O -4.084842 -2.932095 0.412386
N 2.507685 -1.103356 -0.848474
N -2.296820 2.347280 0.032844
C 1.320807 -0.257618 -0.935758
C 0.737591 0.176387 0.433145
C 3.788909 -0.346908 -0.768633
C 3.533898 1.174521 -1.042310
C -0.622640 0.812330 0.312450
C -1.895701 0.111689 0.277252
C -2.929091 1.097499 0.102052
C -0.913456 2.169964 0.157241
C 4.468113 -0.602366 0.582194
C -2.256695 -1.259899 0.386044
C -4.295686 0.748114 0.031599
C -3.621695 -1.599243 0.314116
C -4.635325 -0.612438 0.137458
H 0.541812 -0.757857 -1.536406
H 1.456258 0.839424 0.943883
H 0.671956 -0.742545 1.049003
H 4.487510 -0.754984 -1.520406
H 2.542567 -1.807832 -1.592371
H 3.464172 1.741162 -0.102156
H 4.320923 1.604438 -1.680199
H -0.228587 3.013849 0.109359
H -2.767360 3.240323 -0.091289
H -1.490060 -2.033028 0.529374
H -5.078410 1.502985 -0.101034
H -5.676674 -0.943436 0.089664
H 4.297774 -0.164034 2.492239
H -3.325923 -3.552536 0.543578


