%chk=000122989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122989

0 1
 S    3.509800       2.583000       1.417400    
 N    2.214200       1.585300     -0.8207000    
 C  -0.1960000      -1.148100      1.5500000E-02
 C   -1.417000     -0.3859000      5.4099999E-02
 C    1.024700     -0.4862000     -0.2784000    
 C   -1.370200       1.009400     -0.2029000    
 C    1.030300      0.8891000     -0.5256000    
 C  -0.1492000       1.625500     -0.4885000    
 C  -0.1217000      -2.543100      0.2551000    
 C   -2.691500     -0.9386000      0.3362000    
 C    2.233300      -1.202000     -0.3237000    
 C   -2.544200       1.781500     -0.1730000    
 C    1.087000      -3.243000      0.2069000    
 C   -3.851100     -0.1592000      0.3629000    
 C    2.264900      -2.572000     -8.2699999E-02
 C   -3.777200       1.201300      0.1079000    
 C    2.753800       2.003000      0.1394000    
 H  -0.1161000       2.696100     -0.6889000    
 H   -1.012400      -3.121600      0.4866000    
 H   -2.810600      -1.999000      0.5436000    
 H    3.180700     -0.7217000     -0.5574000    
 H   -2.507900       2.851500     -0.3701000    
 H    1.101500      -4.312400      0.3959000    
 H   -4.809100     -0.6209000      0.5833000    
 H    3.205900      -3.112100     -0.1237000    
 H   -4.675300       1.811000      0.1274000    


%chk=000122989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000122989

0 1
S 4.689856 3.039550 -0.294316
N 2.214396 1.656828 -0.155869
C -0.244824 -1.176020 0.063226
C -1.502567 -0.421080 0.053949
C 1.014435 -0.477526 -0.007388
C -1.452492 1.019056 -0.026812
C 1.011140 0.983227 -0.087810
C -0.184347 1.693459 -0.097063
C -0.210670 -2.602627 0.142677
C -2.785812 -1.043055 0.121331
C 2.238741 -1.210599 0.002386
C -2.667535 1.774419 -0.036658
C 0.999721 -3.308175 0.151200
C -3.966255 -0.285687 0.110660
C 2.236563 -2.608468 0.080553
C -3.910027 1.135563 0.030964
C 3.267242 2.245889 -0.215577
H -0.162093 2.786586 -0.157838
H -1.146168 -3.166637 0.198844
H -2.864046 -2.132444 0.182965
H 3.187449 -0.667471 -0.052149
H -2.609127 2.867367 -0.097947
H 0.993317 -4.401744 0.212606
H -4.937100 -0.790136 0.164076
H 3.182225 -3.160590 0.087385
H -4.835426 1.721216 0.023205


