%chk=000277911.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277911

0 1
S -1.184651 1.693986 0.286678
O -1.975553 2.380003 1.291120
O -0.872372 2.367747 -0.946407
N 1.176395 0.599827 0.480234
N 0.287193 1.377420 1.163597
C 3.357933 -0.484279 0.168387
C 3.816372 -1.585000 1.144030
C 2.720661 -1.126296 -1.073321
C 4.555634 0.386880 -0.254739
C 2.383038 0.421248 0.925618
C -1.849424 0.137318 -0.028950
C -2.934533 -0.316942 0.729805
C -1.314840 -0.664175 -1.042693
C -3.488529 -1.573123 0.471681
C -1.868719 -1.922503 -1.301204
C -2.954248 -2.374691 -0.544385
H 2.967292 -2.180133 1.497967
H 4.518937 -2.272006 0.660510
H 4.319740 -1.171331 2.023149
H 1.851566 -1.737139 -0.804284
H 2.369333 -0.362422 -1.778131
H 3.431768 -1.766923 -1.602559
H 5.296638 -0.201271 -0.806196
H 4.236814 1.206776 -0.909240
H 5.066190 0.831002 0.605007
H 2.810063 0.871493 1.829838
H 0.562128 1.924653 1.990851
H -3.352899 0.314205 1.523283
H -0.461546 -0.311197 -1.633473
H -4.334230 -1.926902 1.059187
H -1.454612 -2.546607 -2.091393
H -3.387137 -3.355417 -0.746170


%chk=000277911-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277911

0 1
S -1.171423 1.646212 0.155417
O -2.021174 2.585005 1.176944
O -0.659900 2.188699 -1.289237
N 1.256106 0.413937 0.522837
N 0.298470 1.079670 1.264056
C 3.564607 -0.438353 0.205378
C 4.033287 -1.583562 1.154458
C 3.027571 -1.030160 -1.118228
C 4.764702 0.513336 -0.079152
C 2.498251 0.366494 0.935092
C -2.054289 0.005830 -0.101100
C -3.010950 -0.376982 0.852007
C -1.732155 -0.738531 -1.246151
C -3.687295 -1.599991 0.636878
C -2.418981 -1.959684 -1.439350
C -3.388189 -2.386881 -0.501054
H 3.203972 -2.281527 1.368134
H 4.854488 -2.152956 0.680737
H 4.406487 -1.185122 2.116913
H 2.167137 -1.696393 -0.934056
H 2.688136 -0.230501 -1.799708
H 3.824134 -1.609341 -1.620887
H 5.585657 -0.049860 -0.560363
H 4.466860 1.335138 -0.754814
H 5.160017 0.957364 0.854327
H 2.831263 0.884164 1.860378
H 0.577751 1.923086 1.816354
H -3.225549 0.263459 1.713419
H -0.986448 -0.370010 -1.956923
H -4.444233 -1.933147 1.354323
H -2.196880 -2.572188 -2.319227
H -3.917028 -3.333007 -0.659608


