%chk=000162528.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162528

0 1
 O  -0.7644000      -1.711600      0.7934000    
 N  -0.3166000     -0.6378000      0.2752000    
 C    3.849200     -6.3199997E-02  2.4200000E-02
 C    5.324200      0.1390000     -6.4300001E-02
 C    1.113600     -0.4410000      0.1893000    
 C    3.160400      0.3193000       1.175300    
 C    3.158600     -0.6360000      -1.043700    
 C    1.781100      0.1288000       1.258600    
 C    1.779300     -0.8264000     -0.9606000    
 C    5.689600       1.499900     -0.6515000    
 C   -2.551400      0.3292000     -0.1442000    
 C   -1.097500      0.3450000     -0.1476000    
 C   -3.261400       1.513800      5.1600002E-02
 C   -3.236200     -0.8706000     -0.3370000    
 C   -4.656300       1.498500      5.4499999E-02
 C   -4.631000     -0.8858000     -0.3344000    
 C   -5.341100      0.2988000     -0.1387000    
 H    5.776200      3.8800001E-02  0.9305000    
 H    5.774800     -0.6536000     -0.6749000    
 H    3.686700      0.7683000       2.013600    
 H    3.683400     -0.9369000      -1.946600    
 H    1.250100      0.4288000       2.157300    
 H    1.246600      -1.272700      -1.795300    
 H    5.290000       1.614100      -1.664800    
 H    6.777400       1.610500     -0.7000000    
 H    5.291400       2.315500     -3.8400002E-02
 H  -0.5921000       1.261000     -0.5020000    
 H   -2.739700       2.455200      0.2041000    
 H   -2.725200      -1.806000     -0.5413000    
 H   -5.209300       2.420800      0.2064000    
 H   -5.164900      -1.817800     -0.4959000    
 H   -6.427100      0.2874000     -0.1393000    


%chk=000162528-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162528

0 1
O -0.654415 -1.295749 1.380352
N -0.318576 -0.434700 0.412752
C 3.936911 -0.075543 -0.199777
C 5.438632 0.086546 -0.379664
C 1.127233 -0.284954 0.166009
C 3.389345 -0.480132 1.045734
C 3.040098 0.200050 -1.264136
C 1.997790 -0.595112 1.232781
C 1.643766 0.094950 -1.094386
C 5.920813 1.520214 -0.026885
C -2.653895 0.230734 -0.193754
C -1.209207 0.293625 -0.295469
C -3.401082 1.107806 -1.045923
C -3.375020 -0.638637 0.686858
C -4.806567 1.118168 -1.024428
C -4.785023 -0.620422 0.696180
C -5.508936 0.250745 -0.151327
H 5.974319 -0.640489 0.259738
H 5.719298 -0.139558 -1.426007
H 4.063809 -0.716187 1.877531
H 3.440227 0.482103 -2.245483
H 1.562739 -0.929966 2.177750
H 0.981749 0.268074 -1.948698
H 5.427032 2.272072 -0.668759
H 7.013420 1.611831 -0.166209
H 5.685180 1.769185 1.023582
H -0.773440 1.015355 -0.990196
H -2.863139 1.781447 -1.725496
H -2.808491 -1.301527 1.343065
H -5.357336 1.797911 -1.684037
H -5.324397 -1.291488 1.374322
H -6.604438 0.256949 -0.132523


