%chk=000043075.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043075

0 1
 O   -5.215500      0.6255000     -0.8713000    
 O    1.420700      -3.618100       1.536700    
 N   -2.799800     -0.8417000     -0.5338000    
 N   0.2468000      -1.633700       1.287200    
 N   0.2050000     -0.2692000       1.254000    
 C   -1.856500      -1.890300     -0.9163000    
 C   -4.104600      -1.417500     -0.1792000    
 C   -2.959500      0.1372000      -1.618100    
 C   -1.612800      -2.884100      0.2231000    
 C   -1.050700      -2.257300       1.497700    
 C   -5.075400     -0.3041000      0.2037000    
 C   -3.956700       1.214200      -1.200400    
 C    2.721200      -1.647500       1.309200    
 C    1.411400      -2.393200       1.384500    
 C    2.869100      -1.056600     -5.6600001E-02
 C    1.983400     -5.6800000E-02 -0.4675000    
 C   0.9743000      0.4552000      0.4957000    
 C   0.8083000       1.936100      0.6052000    
 C    3.844500      -1.515900     -0.9491000    
 C    2.061000      0.4738000      -1.760500    
 C    3.929800     -0.9811000      -2.235100    
 C    3.037100      9.4999997E-03  -2.641100    
 C    1.894400       2.767100      0.3628000    
 C  -0.4301000       2.463600      0.9475000    
 C    1.739500       4.149600      0.4647000    
 C  -0.5849000       3.846100       1.049200    
 C   0.5000000       4.689100      0.8078000    
 H   -2.220600      -2.442400      -1.792900    
 H  -0.8998000      -1.442200      -1.209700    
 H   -4.040600      -2.082100      0.6866000    
 H   -4.514900      -1.986700      -1.023300    
 H   -3.318400     -0.3587000      -2.529400    
 H   -1.998400      0.6127000      -1.845200    
 H   -2.513100      -3.461000      0.4587000    
 H  -0.8926000      -3.627100     -0.1456000    
 H   -1.746600      -1.522700       1.919900    
 H  -0.9346000      -3.045600       2.251400    
 H   -6.064700     -0.7256000      0.4090000    
 H   -4.747200      0.2266000       1.105900    
 H   -3.590400       1.796100     -0.3459000    
 H   -4.121300       1.910800      -2.028600    
 H    3.536600      -2.349200       1.521900    
 H    2.766700     -0.8759000       2.086200    
 H    4.538800      -2.297900     -0.6529000    
 H    1.365200       1.235200      -2.102500    
 H    4.688100      -1.343100      -2.923500    
 H    3.100100      0.4178000      -3.645600    
 H    2.882500       2.383000      0.1280000    
 H   -1.292000       1.828200       1.131100    
 H    2.585900       4.806000      0.2846000    
 H   -1.550700       4.266400       1.314300    
 H   0.3797000       5.765500      0.8885000    


%chk=000043075-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043075

0 1
O -5.256551 0.769696 -0.862358
O 1.333922 -3.699318 1.523133
N -2.940688 -0.953512 -0.482341
N 0.319782 -1.620852 1.259277
N 0.299866 -0.214265 1.234118
C -1.950020 -2.007546 -0.821185
C -4.324754 -1.475334 -0.342638
C -2.918320 0.172273 -1.452423
C -1.623635 -2.944213 0.359848
C -1.009710 -2.216529 1.574370
C -5.272196 -0.347012 0.097103
C -3.882190 1.280147 -0.999053
C 2.801890 -1.730694 1.268913
C 1.453599 -2.451280 1.350015
C 2.963322 -1.126354 -0.109744
C 2.152222 -0.008610 -0.466159
C 1.119482 0.511848 0.470407
C 0.862448 1.985285 0.550935
C 3.880093 -1.656170 -1.048412
C 2.296331 0.565974 -1.761905
C 4.008995 -1.083683 -2.331410
C 3.212406 0.031685 -2.688450
C 1.905935 2.924428 0.326715
C -0.433920 2.468296 0.883750
C 1.658453 4.311022 0.429913
C -0.679130 3.852151 0.981459
C 0.365641 4.781348 0.754913
H -2.291466 -2.624098 -1.691587
H -1.018948 -1.499796 -1.138227
H -4.344114 -2.277498 0.417841
H -4.693063 -1.909173 -1.307614
H -3.209440 -0.163514 -2.480157
H -1.890637 0.579478 -1.503015
H -2.537548 -3.466199 0.705362
H -0.926352 -3.731126 0.018173
H -1.652377 -1.375918 1.879957
H -0.883701 -2.931411 2.406349
H -6.318320 -0.694143 0.127833
H -4.969259 0.019710 1.102009
H -3.540079 1.693772 -0.025107
H -3.940467 2.089720 -1.745284
H 3.582660 -2.476107 1.481445
H 2.838137 -0.943079 2.047330
H 4.495059 -2.518403 -0.766798
H 1.673358 1.422116 -2.040560
H 4.726261 -1.499463 -3.047462
H 3.304040 0.476824 -3.685026
H 2.914352 2.569511 0.088497
H -1.228247 1.738279 1.069936
H 2.474966 5.022314 0.262841
H -1.683905 4.210115 1.233031
H 0.173518 5.857309 0.832439


