%chk=000044224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044224

0 1
 S    5.250500      3.4000000E-03  0.2210000    
 O    5.894300      6.3299999E-02  -1.280700    
 O    5.642500       1.229800      0.9001000    
 O    5.564800      -1.295500      0.7954000    
 N   -1.211900      0.1152000      0.5134000    
 N  -0.6255000      0.1589000     -0.5929000    
 C   -3.328700      -1.025900      0.1623000    
 C   -2.598300      0.1520000      0.3198000    
 C   -5.359500      0.2634000     -6.2199999E-02
 C   -4.709300     -0.9702000     -2.8700000E-02
 C    3.521700      4.8900001E-02 -1.9200001E-02
 C   -3.248600       1.385500      0.2862000    
 C   -4.629200       1.441300      9.5299996E-02
 C   0.7660000      0.1222000     -0.3991000    
 C   -2.654500      -2.358500      0.1946000    
 C    2.807000      -1.139000     -0.1735000    
 C    2.855000       1.273500     -5.5300001E-02
 C   -6.835600      0.3235000     -0.2668000    
 C    1.425600      -1.102200     -0.3640000    
 C    1.473700       1.310400     -0.2457000    
 H   -5.282500      -1.885700     -0.1551000    
 H   -2.688900       2.309300      0.4084000    
 H   -5.123800       2.408700      6.9499999E-02
 H   -2.029900      -2.490500     -0.6948000    
 H   -2.032300      -2.456600       1.090400    
 H   -3.378700      -3.180100      0.2172000    
 H    3.305200      -2.104200     -0.1568000    
 H    3.391800       2.211400      5.5399999E-02
 H   0.8767000      -2.032100     -0.4860000    
 H   0.9622000       2.268800     -0.2751000    
 H   -7.331400     -0.5413000      0.1872000    
 H   -7.264600       1.218200      0.1972000    
 H   -7.066200      0.3399000      -1.336600    
 H    5.689800      0.8788000      -1.796000    


%chk=000044224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044224

0 1
S 5.474686 0.070438 0.128977
O 5.711330 -0.043882 -1.712975
O 6.152716 1.444351 0.650208
O 5.887847 -1.350792 0.783809
N -1.297129 -0.310681 0.006263
N -0.554482 0.769854 -0.020483
C -3.527583 -1.252784 -0.000609
C -2.701620 -0.082783 -0.035230
C -5.532263 0.206282 -0.116418
C -4.931090 -1.074814 -0.042808
C 3.615351 0.246767 0.069916
C -3.293532 1.213555 -0.109426
C -4.685686 1.352906 -0.149287
C 0.855312 0.508024 0.014655
C -2.928470 -2.643210 0.078882
C 2.839756 -0.928470 0.085540
C 3.081498 1.544923 0.029668
C -7.039047 0.364615 -0.158507
C 1.441407 -0.790776 0.060072
C 1.677932 1.666185 0.004391
H -5.574274 -1.962703 -0.017502
H -2.630455 2.083629 -0.134712
H -5.135438 2.351449 -0.206923
H -2.258874 -2.839773 -0.776864
H -2.314828 -2.762651 0.989234
H -3.720813 -3.410809 0.087793
H 3.321410 -1.910262 0.131008
H 3.737875 2.420214 0.033011
H 0.783864 -1.664349 0.071183
H 1.194358 2.647052 -0.026900
H -7.554331 -0.610338 -0.148244
H -7.401824 0.949669 0.707888
H -7.357230 0.908548 -1.067860
H 6.691027 -0.164786 -1.882850


