%chk=000117975.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117975

0 1
 O    1.841800      -1.221300     -0.2000000    
 N  -0.6438000      0.1114000     -0.5896000    
 N   0.8594000       4.635200      0.3214000    
 N    5.255100      2.0800000E-02 -3.7999999E-02
 C   2.1500001E-02 -0.6220000      -1.648100    
 C   2.4200000E-02   1.250300      8.1000002E-03
 C   -1.919200     -0.2866000     -0.1377000    
 C   0.8420000      -1.756400      -1.058100    
 C  -0.3402000       2.539000     -0.7216000    
 C   -2.545900      0.4173000      0.8908000    
 C   -2.553800      -1.384300     -0.7191000    
 C    2.636900      -2.247800      0.3771000    
 C   -3.807100      2.3200000E-02   1.338000    
 C   -3.815000      -1.778200     -0.2718000    
 C   -4.441500      -1.074500      0.7567000    
 C    3.690200      -1.628900       1.285100    
 C   0.3309000       3.709800     -0.1378000    
 C    4.564300     -0.7069000      0.5447000    
 H   0.7132000      6.0800001E-02  -2.160600    
 H  -0.6513000     -0.9646000      -2.440200    
 H    1.111600       1.127000     -8.6999997E-02
 H  -0.1183000       1.322800       1.092400    
 H    1.324500      -2.310800      -1.871400    
 H   0.2075000      -2.449700     -0.4943000    
 H   -1.424200       2.699200     -0.6938000    
 H  -6.8999998E-02   2.458800      -1.781300    
 H   -2.118200       1.289200       1.372200    
 H   -2.117300      -1.985600      -1.508200    
 H    3.118900      -2.828100     -0.4193000    
 H    2.000500      -2.919800      0.9646000    
 H   -4.297700      0.5730000       2.136000    
 H   -4.308400      -2.635300     -0.7211000    
 H   -5.423400      -1.381200       1.104900    
 H    4.287700      -2.419800       1.750600    
 H    3.195200      -1.070300       2.088200    


%chk=000117975-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117975

0 1
O 1.969110 -1.253345 -0.178734
N -0.673773 0.154709 -0.551339
N 0.663752 4.737300 0.660870
N 5.680034 -0.735518 -0.722213
C 0.097681 -0.595804 -1.552138
C -0.019535 1.303117 0.081968
C -1.969101 -0.254387 -0.168798
C 0.861972 -1.800708 -0.977300
C -0.445951 2.658100 -0.581760
C -2.735447 0.497321 0.777608
C -2.568031 -1.435257 -0.711178
C 2.733032 -2.281488 0.524305
C -4.028473 0.083159 1.155586
C -3.866124 -1.830733 -0.328998
C -4.613004 -1.081463 0.607952
C 3.966145 -1.587388 1.133918
C 0.157182 3.819628 0.089243
C 4.911361 -1.109873 0.109454
H 0.842747 0.081349 -2.008883
H -0.563111 -0.937265 -2.370618
H 1.071949 1.178645 -0.005220
H -0.247848 1.334749 1.162736
H 1.268572 -2.428965 -1.800916
H 0.197616 -2.424369 -0.342520
H -1.547183 2.754880 -0.556930
H -0.144480 2.656236 -1.646100
H -2.331942 1.410047 1.226412
H -2.026847 -2.058157 -1.429416
H 3.044138 -3.087835 -0.173858
H 2.123632 -2.731882 1.337186
H -4.584683 0.684727 1.883936
H -4.292931 -2.740742 -0.766926
H -5.619329 -1.395274 0.902677
H 4.491088 -2.289416 1.808755
H 3.628884 -0.728399 1.743039


