%chk=000253252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253252

0 1
S -3.909904 0.840188 -0.087347
O 0.286459 2.502654 -0.754947
N -1.189938 2.121494 0.985375
N 0.702135 0.707856 0.673277
C -2.221846 2.985158 0.358354
C -3.018764 2.284085 -0.738586
C -2.688955 -0.428683 -0.037221
C -0.798710 -2.478267 0.120482
C -1.946346 -0.768394 -1.171533
C -2.516675 -1.114375 1.166766
C -0.997554 -1.787734 -1.089216
C -1.569833 -2.140004 1.244022
C -0.044199 1.818871 0.199347
C 1.971673 0.291045 0.167086
C 0.232359 -3.554401 0.195524
C 2.568397 -0.830577 0.783703
C 2.617919 0.943697 -0.897830
C 3.805352 -1.284493 0.324699
C 3.853118 0.470105 -1.338543
C 4.451622 -0.641862 -0.735239
H -2.888975 3.349321 1.173570
H -1.710693 3.883956 -0.073071
H -3.789140 2.962425 -1.158852
H -2.362520 2.001100 -1.585951
H -1.574423 1.397179 1.595564
H -2.098701 -0.245953 -2.117146
H -3.118036 -0.864831 2.042344
H -0.404373 -2.047557 -1.965523
H -1.439957 -2.683438 2.177900
H 0.323216 0.146126 1.439450
H 0.286563 -4.032017 1.181649
H 0.032554 -4.351891 -0.535712
H 1.235799 -3.157274 -0.030428
H 2.080504 -1.335565 1.612421
H 2.157883 1.816316 -1.374596
H 4.271018 -2.146526 0.801307
H 4.356036 0.976046 -2.163187
H 5.415139 -1.000779 -1.086711


%chk=000253252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253252

0 1
S -4.139700 0.881247 0.054937
O 0.505618 2.804377 -0.758566
N -1.110476 2.034882 0.746466
N 0.856813 0.805203 0.465465
C -2.144467 2.960263 0.277353
C -3.129033 2.305197 -0.713850
C -2.902913 -0.492704 0.081869
C -1.043686 -2.664866 0.188578
C -2.249285 -0.933007 -1.094442
C -2.642610 -1.150720 1.307963
C -1.323966 -1.995396 -1.033912
C -1.725477 -2.229585 1.353699
C 0.117914 1.939563 0.086056
C 2.169083 0.442092 0.062817
C -0.052343 -3.814097 0.232028
C 2.685050 -0.787427 0.560965
C 2.973780 1.239873 -0.795865
C 3.980868 -1.214100 0.207572
C 4.269469 0.796922 -1.138734
C 4.785180 -0.424468 -0.647293
H -2.695863 3.365052 1.144927
H -1.626362 3.795234 -0.229252
H -3.896343 3.027517 -1.043539
H -2.601278 1.916707 -1.599869
H -1.409753 1.288385 1.376547
H -2.461173 -0.449466 -2.054066
H -3.158179 -0.825879 2.218814
H -0.814525 -2.314258 -1.951144
H -1.543943 -2.737668 2.308611
H 0.375253 0.112024 1.044599
H 0.061979 -4.214623 1.254051
H -0.378090 -4.646610 -0.419313
H 0.945587 -3.496739 -0.124824
H 2.070660 -1.402186 1.232862
H 2.572452 2.178807 -1.181206
H 4.363332 -2.161590 0.604149
H 4.881967 1.419367 -1.801291
H 5.792667 -0.754322 -0.921956


