%chk=000016093.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016093

0 1
 S   0.4604000       1.798400     -0.3884000    
 O   -1.212600     -0.2832000      0.1233000    
 N    3.901600     -0.2760000      0.1758000    
 N   -2.228700       1.677600     -0.3863000    
 C    3.021200      0.8504000     -0.1197000    
 C    5.303600      0.1401000      0.1223000    
 C    3.660900      -1.375500     -0.7593000    
 C    1.566200      0.4090000     -2.2900000E-02
 C    5.574600       1.282000       1.087100    
 C    4.524900      -2.579700     -0.4250000    
 C   -1.096300       1.032700     -0.2101000    
 C   -2.562300     -0.4868000      0.1594000    
 C   -3.180700      0.7148000     -0.1527000    
 C   -3.231300      -1.668900      0.4519000    
 C   -4.581600      0.7686000     -0.1820000    
 C   -4.628100      -1.598300      0.4185000    
 C   -5.292100     -0.4051000      0.1081000    
 H    3.234100       1.264600      -1.114600    
 H    3.153400       1.653200      0.6136000    
 H    5.960200     -0.6767000      0.4394000    
 H    5.605900      0.4347000     -0.8906000    
 H    2.640000      -1.756200     -0.6773000    
 H    3.824400      -1.075400      -1.801800    
 H    1.345900      1.7999999E-02  0.9768000    
 H    1.308400     -0.3468000     -0.7670000    
 H    5.191900       2.240000      0.7214000    
 H    5.158000       1.084500       2.080900    
 H    6.656700       1.408100       1.208500    
 H    5.571200      -2.436700     -0.7121000    
 H    4.478800      -2.830300      0.6405000    
 H    4.167700      -3.454300     -0.9808000    
 H   -2.708200      -2.586400      0.6908000    
 H   -5.106400       1.687500     -0.4212000    
 H   -5.210800      -2.489800      0.6383000    
 H   -6.379100     -0.3875000      9.1499999E-02


%chk=000016093-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016093

0 1
S 0.425311 1.696006 -1.143094
O -1.166985 -0.211639 0.097740
N 3.995411 -0.219226 -0.262003
N -2.336956 1.577589 -0.836681
C 3.052088 0.826408 -0.722724
C 5.236970 0.321246 0.353729
C 4.242583 -1.272819 -1.284384
C 1.611401 0.380958 -0.415773
C 5.004851 0.893830 1.764916
C 4.622115 -2.632933 -0.668384
C -1.149773 1.038082 -0.624541
C -2.553280 -0.419961 0.334094
C -3.261675 0.674227 -0.239290
C -3.165740 -1.484731 1.001781
C -4.667576 0.721771 -0.149159
C -4.579605 -1.424618 1.085209
C -5.312758 -0.343516 0.521021
H 3.165020 1.044172 -1.812215
H 3.260977 1.769141 -0.185950
H 5.962045 -0.509284 0.426062
H 5.710023 1.098039 -0.298358
H 3.312375 -1.399560 -1.869458
H 5.030357 -0.952086 -2.011521
H 1.437994 0.316655 0.667930
H 1.366421 -0.583995 -0.885326
H 4.285912 1.733338 1.756480
H 4.604377 0.110584 2.431520
H 5.953529 1.271792 2.189592
H 5.556390 -2.573873 -0.081330
H 3.820241 -2.982684 0.004614
H 4.774404 -3.387077 -1.462915
H -2.594632 -2.311193 1.432724
H -5.228129 1.554090 -0.583468
H -5.117495 -2.230064 1.596247
H -6.404390 -0.338069 0.609215


