%chk=000178486.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178486

0 1
 S   -3.801800      0.7524000       0.000000    
 O   -4.403100      0.3562000      -1.269500    
 O   -4.425500      0.3690000       1.263200    
 N   -1.808800      -1.171900      3.9999999E-04
 N   -1.105800      0.9357000      6.9999998E-04
 N    1.721800       1.659500     -3.9999999E-04
 N    3.602300     -0.4179000      3.9999999E-04
 C  -0.4398000      -1.241500      8.9999998E-04
 C  -2.2600001E-02  8.4899999E-02  1.0000000E-03
 C   -2.158700      0.1495000      5.0000002E-04
 C    1.358800      0.3584000      3.9999999E-04
 C   0.4452000      -2.316700      8.9999998E-04
 C    1.813100      -2.008700      1.0000000E-03
 C    2.286800     -0.6971000      6.0000003E-04
 C   -2.717500      -2.295300     -9.9999997E-05
 C    2.783000      -3.150800      1.3000000E-03
 C   -3.623600       2.527000       0.000000    
 C    3.044200       1.901800     -3.9999999E-04
 C    3.966600      0.8821000       0.000000    
 C    3.485500       3.323300     -1.0000000E-03
 H   9.5399998E-02  -3.342900      3.9999999E-04
 H   -3.359500      -2.222600      0.8812000    
 H   -2.166300      -3.236300      3.4200002E-02
 H   -3.312900      -2.256900     -0.9157000    
 H    3.415500      -3.113000     -0.8920000    
 H    2.275500      -4.121500      2.2000000E-03
 H    3.416200      -3.111800      0.8939000    
 H   -3.090600       2.830600      0.9030000    
 H   -4.624200       2.964600     -5.7000001E-03
 H   -3.081000       2.829800     -0.8974000    
 H    5.034700       1.066300     -1.9999999E-04
 H    2.625900       4.001700     -1.2000001E-03
 H    4.083700       3.536400     -0.8927000    
 H    4.084000       3.537000      0.8902000    


%chk=000178486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178486

0 1
S -3.977126 0.717554 -0.001359
O -4.651412 0.228346 -1.407903
O -4.654804 0.235434 1.406082
N -1.850707 -1.197778 0.003681
N -1.145537 0.992342 0.002172
N 1.817309 1.749013 0.001192
N 3.659725 -0.449222 -0.000414
C -0.446401 -1.229877 0.001643
C -0.028156 0.136591 0.001091
C -2.180273 0.153878 0.001894
C 1.370683 0.441691 0.000520
C 0.460211 -2.325422 0.000652
C 1.831767 -2.061691 -0.000349
C 2.291777 -0.681308 -0.000129
C -2.798693 -2.327278 0.002527
C 2.851656 -3.177648 -0.001722
C -3.762977 2.619400 -0.005426
C 3.156955 1.948568 0.001116
C 4.067517 0.833240 0.000201
C 3.665865 3.370051 0.002078
H 0.103258 -3.360188 0.000010
H -3.464211 -2.258698 0.879439
H -2.236884 -3.271181 0.044038
H -3.412281 -2.304047 -0.913640
H 3.512367 -3.105934 -0.883591
H 2.362663 -4.166042 -0.001508
H 3.514294 -3.106436 0.878731
H -3.206646 2.872377 0.905669
H -4.793149 3.001118 -0.006786
H -3.205579 2.868510 -0.916906
H 5.149676 1.007690 0.000090
H 2.813286 4.065440 0.002947
H 4.290859 3.572130 -0.887693
H 4.291469 3.570676 0.891752


