%chk=000069500.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069500

0 1
 S   -2.439500     -0.6006000       1.749600    
 O    1.259200       1.553500      -1.334400    
 N    3.195500      0.6156000      6.8800002E-02
 N  -0.3151000      4.4399999E-02 -0.4349000    
 C    2.151900     -0.3298000     -0.2543000    
 C   0.9837000      0.4937000     -0.7641000    
 C  -0.6451000      -1.346100     -0.2353000    
 C   -1.413500      0.9793000     -0.3073000    
 C    4.390700     -6.9600001E-02  0.5779000    
 C    2.730300       1.600500       1.054100    
 C   -1.596800      -1.763600      0.7089000    
 C   -2.443400      0.7826000      0.6327000    
 C  -5.5900000E-02  -2.331200      -1.050400    
 C   -1.493000       2.122000      -1.125300    
 C    4.951100      -1.039200     -0.4421000    
 C    3.818000       2.596400       1.399300    
 C   -1.889700      -3.127000      0.8721000    
 C   -3.489000       1.712100      0.7579000    
 C  -0.3564000      -3.685900     -0.8916000    
 C   -2.540100       3.040000      -1.001900    
 C   -1.266800      -4.084900      7.7299997E-02
 C   -3.536000       2.837900     -5.7100002E-02
 H    2.446300     -0.9858000      -1.077600    
 H    1.867500     -0.9293000      0.6171000    
 H    5.200300      0.6425000      0.7649000    
 H    4.187500     -0.5960000       1.519000    
 H    1.882800       2.202200      0.7161000    
 H    2.400800       1.102700       1.976400    
 H   0.6308000      -2.056000      -1.847000    
 H  -0.7786000       2.311400      -1.919700    
 H    4.332000      -1.935200     -0.5504000    
 H    5.068400     -0.5701000      -1.425100    
 H    5.942300      -1.380100     -0.1224000    
 H    4.581800       2.177100       2.061600    
 H    4.300300       3.001200      0.5030000    
 H    3.379800       3.443700       1.939700    
 H   -2.612100      -3.457100       1.615600    
 H   -4.277700       1.569400       1.493800    
 H   0.1168000      -4.424700      -1.531700    
 H   -2.578300       3.907700      -1.654400    
 H   -1.502700      -5.137000      0.2053000    
 H   -4.349300       3.550200      4.1600000E-02


%chk=000069500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000069500

0 1
S -2.420195 -0.394447 1.812503
O 1.097683 1.953675 -0.594701
N 3.276434 0.502744 0.466642
N -0.402369 0.174078 -0.375509
C 2.020540 -0.201505 0.194647
C 0.905358 0.742347 -0.316267
C -0.659360 -1.237209 -0.203724
C -1.562418 1.037734 -0.464236
C 4.448396 -0.408866 0.501553
C 3.206198 1.422275 1.635083
C -1.575909 -1.663309 0.791627
C -2.600058 0.874028 0.487617
C -0.072590 -2.201257 -1.059142
C -1.683921 2.030581 -1.463373
C 4.867198 -0.919756 -0.891154
C 4.207649 2.587491 1.530246
C -1.840630 -3.036061 0.985283
C -3.748586 1.691891 0.450981
C -0.318204 -3.575555 -0.855167
C -2.821108 2.866805 -1.486606
C -1.191107 -3.995308 0.176659
C -3.852069 2.700763 -0.532973
H 2.214207 -0.972013 -0.571015
H 1.614550 -0.754231 1.082758
H 5.292171 0.161545 0.928782
H 4.276912 -1.278298 1.188434
H 2.189987 1.850052 1.665120
H 3.358601 0.865781 2.595060
H 0.563427 -1.866996 -1.885644
H -0.877928 2.158006 -2.188680
H 4.091479 -1.554185 -1.359190
H 5.059681 -0.065324 -1.562435
H 5.786794 -1.529585 -0.815425
H 5.256502 2.238829 1.500164
H 4.006163 3.160408 0.609698
H 4.105429 3.262118 2.400955
H -2.556712 -3.348092 1.752518
H -4.549425 1.541350 1.182196
H 0.153453 -4.314463 -1.511311
H -2.901611 3.645904 -2.251820
H -1.389082 -5.060820 0.332998
H -4.736732 3.345775 -0.557453


