%chk=000007229.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007229

0 1
 S   -1.314600      -1.864500      0.7050000    
 S    1.631400      -2.216100      7.8299999E-02
 S   -2.343200      0.2630000       2.512900    
 N   -2.817500      0.2258000     -0.2021000    
 N   0.4960000      7.9700001E-02  0.3830000    
 C   -3.606100       1.458000     -0.1341000    
 C   -2.747500     -0.3557000      -1.545300    
 C   -2.231200     -0.3531000      0.9411000    
 C   -2.723000       2.684300     -0.2896000    
 C   -3.897400      -1.318700      -1.787200    
 C    2.619800     -0.8129000     -8.7800004E-02
 C    1.833600      0.3261000      0.1102000    
 C   0.2799000      -1.215000      0.3903000    
 C    3.992000     -0.7266000     -0.3727000    
 C    2.445000       1.595400      1.9200001E-02
 C    4.572200      0.5415000     -0.4571000    
 C    3.810600       1.688800     -0.2640000    
 H   -4.370600       1.446100     -0.9196000    
 H   -4.149200       1.513400      0.8137000    
 H   -2.775200      0.4528000      -2.285500    
 H   -1.796100     -0.8684000      -1.703700    
 H   -1.959100       2.737900      0.4919000    
 H   -2.205900       2.676600      -1.254900    
 H   -3.327500       3.595200     -0.2366000    
 H   -3.890100      -2.144800      -1.069500    
 H   -4.864300     -0.8130000      -1.698000    
 H   -3.829700      -1.742800      -2.793900    
 H    4.592900      -1.618000     -0.5246000    
 H    1.859000       2.498000      0.1681000    
 H    5.632900      0.6306000     -0.6767000    
 H    4.279100       2.666600     -0.3336000    


%chk=000007229-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007229

0 1
S -1.382284 -1.965893 0.685786
S 1.732554 -2.215545 0.863613
S -2.697019 0.051008 2.638214
N -2.900083 0.243129 -0.090903
N 0.468659 -0.065251 -0.179770
C -3.767978 1.450100 0.061625
C -2.608366 -0.157027 -1.498789
C -2.418927 -0.369500 1.023548
C -2.936362 2.744609 0.160032
C -3.657741 -1.138229 -2.056921
C 2.713169 -0.838076 0.201538
C 1.849935 0.201695 -0.281003
C 0.231362 -1.235532 0.371291
C 4.114644 -0.719758 0.141683
C 2.412525 1.381251 -0.823067
C 4.658571 0.465874 -0.403572
C 3.814812 1.505028 -0.880017
H -4.443291 1.477879 -0.812846
H -4.374415 1.317870 0.974067
H -2.592773 0.775309 -2.092474
H -1.595682 -0.581791 -1.550019
H -2.286974 2.713427 1.050667
H -2.301813 2.884970 -0.733275
H -3.610173 3.615833 0.248527
H -3.626805 -2.094052 -1.506195
H -4.680434 -0.725719 -1.984083
H -3.447447 -1.345637 -3.121889
H 4.771102 -1.514442 0.508736
H 1.749611 2.172439 -1.185627
H 5.746327 0.582108 -0.455312
H 4.261497 2.414121 -1.296366


