%chk=000054964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054964

0 1
 S  -0.8356000      -1.719700      0.5471000    
 O   0.9741000       2.825400     -6.8400003E-02
 O    4.347600     -0.9639000      -1.493200    
 O    4.853100     -0.8324000      0.7461000    
 N    1.776800      -1.227400      0.1549000    
 N    2.461200       1.051500     -0.1240000    
 C   -4.157300     -0.8356000     -0.5116000    
 C   -3.346800     -0.6182000      0.7958000    
 C   -1.901300     -0.3801000      0.5815000    
 C   -1.240800      0.8143000      0.3944000    
 C   0.1588000      0.6224000      0.2213000    
 C   -4.025000      0.3533000      -1.467100    
 C   -5.635800      -1.080300     -0.1988000    
 C   0.5204000     -0.7134000      0.2820000    
 C   -1.920600       2.133700      0.3794000    
 C    1.194000       1.620700      9.9999997E-05
 C    2.682000     -0.3176000     -4.1400000E-02
 C    4.095200     -0.7327000     -0.1982000    
 H   -3.768100      -1.725100      -1.023900    
 H   -3.486800      -1.499000       1.438000    
 H   -3.788600      0.2085000       1.365300    
 H   -4.647600      0.1953000      -2.355500    
 H   -4.357900       1.284800     -0.9993000    
 H   -2.999700      0.4775000      -1.826000    
 H   -5.753500      -1.948800      0.4577000    
 H   -6.084700     -0.2146000      0.3000000    
 H   -6.201800      -1.275700      -1.115700    
 H   -1.916900       2.552100     -0.6325000    
 H   -2.955600       2.098000      0.7256000    
 H   -1.403000       2.837200       1.040500    
 H    3.249600       1.673200     -0.2811000    
 H    5.274900      -1.244700      -1.646900    


%chk=000054964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054964

0 1
S -0.937106 -1.717251 0.153234
O 1.146865 2.952599 0.395973
O 4.362047 -1.949620 -0.772540
O 5.062180 0.267255 -0.609155
N 1.754741 -1.157543 -0.232929
N 2.512038 1.110114 -0.074302
C -4.220572 -0.901334 -0.582207
C -3.444726 -0.487481 0.711937
C -1.971827 -0.258312 0.510910
C -1.233589 0.929015 0.532998
C 0.168730 0.703343 0.267416
C -4.141782 0.195777 -1.667006
C -5.687371 -1.234760 -0.226507
C 0.509973 -0.654313 0.039576
C -1.814196 2.301315 0.792535
C 1.242611 1.703812 0.216786
C 2.727222 -0.248008 -0.281901
C 4.149763 -0.600670 -0.565553
H -3.740346 -1.819416 -0.981129
H -3.600472 -1.274647 1.476952
H -3.902638 0.436212 1.114165
H -4.668363 -0.123302 -2.584914
H -4.616882 1.131411 -1.313027
H -3.094972 0.425014 -1.935939
H -5.749545 -2.041761 0.527532
H -6.205092 -0.345624 0.182494
H -6.244290 -1.563361 -1.122862
H -1.771307 2.923139 -0.120040
H -2.863721 2.245957 1.123891
H -1.223466 2.836596 1.554295
H 3.326920 1.735999 -0.131151
H 5.329472 -2.101453 -0.953430


