%chk=000040599.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040599

0 1
 S    1.538000       2.341100      0.3838000    
 N   -3.921700     -0.4867000     -0.2193000    
 C   -1.697600      0.3768000     -0.8907000    
 C  -0.3624000      0.8279000     -0.4236000    
 C   0.7601000     -4.6100002E-02 -0.2337000    
 C   -2.626900     -2.2000000E-02  0.2664000    
 C    1.881600      0.6601000      0.2121000    
 C  -7.5999998E-02   2.139100     -0.1258000    
 C   0.8816000      -1.443800     -0.4244000    
 C    3.106100      1.2400000E-02  0.4683000    
 C    2.094700      -2.089500     -0.1707000    
 C    3.194000      -1.366900      0.2704000    
 C   -4.771600     -0.9022000      0.8872000    
 H   -2.171500       1.179700      -1.472000    
 H   -1.588500     -0.4643000      -1.587100    
 H   -2.767700      0.8422000      0.9280000    
 H   -2.144900     -0.8102000      0.8592000    
 H  -0.7384000       2.991900     -0.1818000    
 H   3.3700000E-02  -2.032000     -0.7667000    
 H   -3.785900      -1.272800     -0.8543000    
 H    3.971900      0.5699000      0.8143000    
 H    2.175100      -3.162500     -0.3199000    
 H    4.133200      -1.877700      0.4649000    
 H   -4.329500      -1.734800       1.444100    
 H   -5.738900      -1.234900      0.4981000    
 H   -4.962300     -7.1900003E-02   1.574800    


%chk=000040599-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040599

0 1
S 1.717375 2.485716 0.255289
N -3.891843 -0.527570 -0.178854
C -1.735024 0.481177 -0.886616
C -0.349484 0.931429 -0.473383
C 0.766155 0.018505 -0.226296
C -2.554785 -0.112092 0.287951
C 1.964159 0.689005 0.178711
C 0.000808 2.248809 -0.264145
C 0.795660 -1.398548 -0.350384
C 3.158108 -0.004777 0.460829
C 1.983040 -2.100963 -0.073575
C 3.158524 -1.410224 0.332373
C -4.780486 -1.040242 0.880362
H -2.310137 1.324721 -1.307475
H -1.654399 -0.280856 -1.690338
H -2.686442 0.667018 1.063464
H -1.978419 -0.942509 0.768851
H -0.625654 3.132994 -0.378173
H -0.104690 -1.938500 -0.664525
H -3.829285 -1.173921 -0.977144
H 4.063889 0.527139 0.769311
H 2.005612 -3.191902 -0.170664
H 4.074425 -1.972068 0.545404
H -4.364938 -1.905629 1.453521
H -5.744821 -1.350344 0.440130
H -4.991147 -0.233569 1.606976


