%chk=000051248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051248

0 1
 S    4.946400     -0.8919000      0.2238000    
 N   0.4714000      3.9099999E-02 -8.5299999E-02
 N   -3.567000      0.6311000      0.8933000    
 N    2.751300      0.5041000     -0.3316000    
 N    1.179800       2.199700     -0.8054000    
 N    2.505200      -1.659000      0.5909000    
 C   -1.882600     -0.6573000     -0.2513000    
 C  -0.8972000      0.2157000      0.2291000    
 C   -3.223300     -0.4090000      0.1103000    
 C   -1.248200       1.288300       1.036100    
 C   -2.585600       1.450000       1.336000    
 C   -1.559600      -1.752500      -1.070300    
 C   -4.201700      -1.276600     -0.3672000    
 C    1.442800      0.9896000     -0.3955000    
 C   -2.558400      -2.604100      -1.533700    
 C   -3.880900      -2.365500      -1.181600    
 C   -3.010000       2.589800       2.201000    
 C    2.294900       3.090300      -1.094100    
 C    3.250500     -0.6736000      0.1595000    
 C    1.753500       4.423300      -1.568200    
 C    4.686500      -2.449900      0.8921000    
 C    3.332300      -2.681700       1.012300    
 H  -0.5069000       1.973600       1.434200    
 H   0.7543000     -0.9352000     -0.1090000    
 H  -0.5388000      -1.966800      -1.374900    
 H   -5.245400      -1.111300     -0.1057000    
 H   -2.305800      -3.448300      -2.168100    
 H   -4.666800      -3.024500      -1.539100    
 H   -4.095200       2.589700       2.347900    
 H   -2.536300       2.517800       3.185200    
 H   -2.732400       3.542500       1.738800    
 H    3.478600       1.147800     -0.6290000    
 H    2.905300       3.256100     -0.1988000    
 H    2.925900       2.684800      -1.893600    
 H    2.572600       5.112700      -1.794700    
 H    1.147300       4.300700      -2.472000    
 H    1.119500       4.882300     -0.8023000    
 H    5.508100      -3.100300       1.155600    
 H    2.891500      -3.588000       1.405100    


%chk=000051248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051248

0 1
S 4.962845 -1.276636 -0.563487
N 0.501412 0.181125 -0.110531
N -3.731011 0.729178 0.323328
N 2.836241 0.546266 -0.320923
N 1.339108 2.425715 -0.109776
N 2.350155 -1.818485 -0.338713
C -1.745955 -0.775538 0.073617
C -0.882995 0.395394 0.032145
C -3.167088 -0.539598 0.222068
C -1.471807 1.664573 0.136155
C -2.892570 1.787773 0.279514
C -1.280291 -2.127098 -0.020722
C -4.059409 -1.657956 0.269105
C 1.517144 1.129571 -0.173215
C -2.176716 -3.200195 0.028388
C -3.577904 -2.965868 0.174366
C -3.512243 3.166438 0.390437
C 2.490326 3.350032 -0.186807
C 3.190795 -0.786660 -0.388848
C 1.995009 4.802143 -0.078067
C 4.390292 -2.991079 -0.552548
C 3.018400 -3.046110 -0.430245
H -0.834053 2.548854 0.106357
H 0.839771 -0.799379 -0.173552
H -0.212129 -2.346573 -0.133236
H -5.125539 -1.437898 0.381646
H -1.802178 -4.227368 -0.045385
H -4.271421 -3.813307 0.211430
H -4.604126 3.074126 0.496164
H -3.111185 3.713467 1.264519
H -3.287981 3.776206 -0.505090
H 3.589195 1.232889 -0.375303
H 3.221848 3.160900 0.635614
H 3.042936 3.233932 -1.150364
H 2.838591 5.514704 -0.131077
H 1.290315 5.026148 -0.897236
H 1.464206 4.952230 0.877745
H 5.108610 -3.802106 -0.637756
H 2.435003 -3.966309 -0.399917


