%chk=000126602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126602

0 1
 S   -2.683400      0.8973000      -1.400800    
 O   -2.591400       1.404700      -2.757100    
 O   -3.893400       1.113800     -0.6312000    
 O    1.809800       3.247700       1.609600    
 N   -2.274500     -0.7757000      -1.399900    
 N   0.3049000      -1.734500     -0.7760000    
 N  -0.4375000      -2.503300       1.340000    
 C   -1.334800       1.602500     -0.4971000    
 C   -1.997200      -1.415200     -0.1527000    
 C  -0.7306000      -1.891400      0.1656000    
 C  -0.2091000       2.020100      -1.183700    
 C   -1.433900       1.721800      0.8773000    
 C   -3.014400      -1.575200      0.7817000    
 C   0.8540000       2.575800     -0.4716000    
 C  -0.3711000       2.277600       1.589400    
 C    1.699900      -1.574600     -0.6440000    
 C   0.7728000       2.704600      0.9149000    
 C   -2.744700      -2.198700       1.994900    
 C   -1.451600      -2.640800       2.223500    
 C    2.553400      -2.046700      -1.641200    
 C    2.226200     -0.9437000      0.4832000    
 C    3.933200      -1.887900      -1.511200    
 C    3.605900     -0.7849000      0.6132000    
 C    4.459300      -1.257000     -0.3840000    
 C    2.948200       3.663900      0.8572000    
 H   -1.709900      -1.098500      -2.195000    
 H  -0.1237000       1.918900      -2.261100    
 H   -2.315400       1.398200       1.421400    
 H   -4.026300      -1.237700      0.5773000    
 H   1.4600000E-02  -1.944900      -1.726500    
 H    1.713400       2.883100      -1.057500    
 H  -0.4397000       2.375100       2.669400    
 H   -3.522800      -2.337700       2.736600    
 H   -1.189500      -3.134300       3.153600    
 H    2.156400      -2.540500      -2.524500    
 H    1.581600     -0.5579000       1.268200    
 H    4.597800      -2.255200      -2.287700    
 H    4.015400     -0.2900000       1.489100    
 H    5.533400      -1.132200     -0.2833000    
 H    2.696900       4.469800      0.1594000    
 H    3.431100       2.817400      0.3572000    
 H    3.674300       4.071300       1.568200    


%chk=000126602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126602

0 1
S -2.799002 0.840809 -1.462346
O -2.781895 1.162620 -3.059311
O -4.099277 1.038710 -0.511508
O 1.818343 3.699267 1.203037
N -2.396162 -1.120749 -1.359139
N 0.367176 -1.468089 -0.419199
N -0.451470 -2.410878 1.611994
C -1.369155 1.765229 -0.665116
C -2.057096 -1.618901 -0.082816
C -0.698457 -1.841788 0.393974
C -0.321067 2.203699 -1.491097
C -1.390141 1.972143 0.729410
C -3.122963 -1.928416 0.799803
C 0.774155 2.865789 -0.896848
C -0.297101 2.630087 1.316931
C 1.771650 -1.616864 -0.263029
C 0.788498 3.068122 0.510268
C -2.855094 -2.473318 2.071918
C -1.506187 -2.712487 2.418137
C 2.586346 -1.041407 -1.280546
C 2.389061 -2.299855 0.819974
C 3.989082 -1.149173 -1.220747
C 3.796601 -2.398382 0.863724
C 4.607392 -1.830631 -0.145505
C 2.993310 4.144887 0.442489
H -1.717880 -1.258905 -2.129657
H -0.379026 2.062938 -2.576104
H -2.246731 1.645171 1.326813
H -4.142742 -1.749504 0.447562
H 0.100994 -0.921861 -1.241945
H 1.592649 3.220930 -1.528547
H -0.258089 2.816018 2.393732
H -3.661631 -2.725586 2.765371
H -1.244519 -3.156915 3.385284
H 2.115976 -0.514044 -2.122035
H 1.758571 -2.725973 1.600851
H 4.598631 -0.706924 -2.016802
H 4.262459 -2.928190 1.702516
H 5.697938 -1.918401 -0.098911
H 2.717443 4.913807 -0.304113
H 3.489598 3.291068 -0.056654
H 3.667410 4.581048 1.192989


