%chk=000125705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125705

0 1
 O    4.048600       1.525000       2.153200    
 O    7.767900      0.4268000      -1.066800    
 O    5.887600      0.9863000      -2.207900    
 O    4.906300      -4.497200     -0.6959000    
 O    5.877400      -3.905600       1.267300    
 N   -5.149200       1.064700       1.219300    
 N   -5.884600      -1.169500       1.414400    
 N   -6.088000      -2.591400     -0.5182000    
 N   -5.564100      -1.769300      -2.665400    
 N    4.340000      0.7706000     -1.9900000E-02
 N   -6.615900      -3.389200       1.620900    
 C   -4.132200       1.907500     -0.8615000    
 C   -4.862900      0.8028000      -1.642800    
 C   -2.680100       1.524200     -0.5542000    
 C   -4.914000       2.246800      0.4132000    
 C   -5.318400     -0.3176000     -0.7521000    
 C   -1.855200       2.754900     -0.1952000    
 C   -5.463100     -0.1512000      0.6264000    
 C  -0.4289000       2.383900      0.1206000    
 C   -5.658600      -1.559000      -1.267800    
 C   0.5259000       2.353800     -0.8958000    
 C  -6.3699998E-02   2.071600       1.430200    
 C   -6.173800      -2.331600      0.7965000    
 C    2.211200       1.699100      0.7068000    
 C    1.845900       2.011500     -0.6027000    
 C    1.256300       1.729300       1.723200    
 C    5.711600      0.3416000      0.1342000    
 C    3.587300       1.341800       1.012700    
 C    5.827700      -1.110100      0.6145000    
 C    5.252500      -2.174200     -0.3290000    
 C    6.426000      0.6117000      -1.174100    
 C    5.380600      -3.588000      0.1957000    
 H   -4.115000       2.797700      -1.505000    
 H   -4.206500      0.4368000      -2.440800    
 H   -5.752700       1.234600      -2.119300    
 H   -2.624600      0.7783000      0.2480000    
 H   -2.232000       1.051900      -1.438400    
 H   -5.885000       2.676800      0.1362000    
 H   -4.406300       3.003500       1.017900    
 H   -1.867900       3.477300      -1.021500    
 H   -2.276700       3.282400      0.6677000    
 H   -5.275900       1.155800       2.219800    
 H   0.2540000       2.600200      -1.918700    
 H  -0.7995000       2.088600       2.229900    
 H   -5.754500     -0.9914000      -3.284700    
 H   -5.812200      -2.694100      -2.996300    
 H    2.562900       2.030500      -1.418200    
 H    1.519200       1.484300       2.749000    
 H    6.172600      0.9967000      0.8843000    
 H    5.328800      -1.202200       1.588400    
 H    6.885300      -1.343200      0.7952000    
 H    3.898200      0.5660000     -0.9103000    
 H   -6.696600      -3.242100       2.617600    
 H   -6.845300      -4.281200       1.204800    
 H    5.774100      -2.130300      -1.291400    
 H    4.187300      -1.981200     -0.4969000    
 H    8.231600      0.6176000      -1.909900    
 H    5.003700      -5.416400     -0.3673000    


%chk=000125705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125705

0 1
O 3.775545 0.466753 2.271241
O 8.043429 0.672127 -0.516204
O 6.265425 1.314536 -1.864239
O 5.301788 -4.289062 -1.387120
O 6.128480 -4.058133 0.770494
N -5.309604 1.422378 1.008251
N -5.988841 -0.735141 1.610803
N -6.231472 -2.493835 -0.076183
N -5.807490 -2.102128 -2.331629
N 4.438852 0.728452 0.069462
N -6.645902 -2.905410 2.188732
C -4.251887 1.937373 -1.170043
C -5.029736 0.749199 -1.807839
C -2.821091 1.507344 -0.754845
C -5.087795 2.483679 0.020212
C -5.492265 -0.247671 -0.755339
C -1.944970 2.666866 -0.203639
C -5.606996 0.127298 0.613828
C -0.528287 2.214474 0.112381
C -5.841093 -1.597845 -1.041261
C 0.537718 2.452337 -0.792697
C -0.240951 1.517697 1.316441
C -6.271876 -2.011716 1.204689
C 2.122830 1.303187 0.689361
C 1.845984 2.003980 -0.513541
C 1.063018 1.074296 1.604375
C 5.822943 0.349639 0.370058
C 3.489899 0.809222 1.076914
C 6.011522 -1.178422 0.625109
C 5.579970 -2.044225 -0.570636
C 6.689739 0.837404 -0.785188
C 5.713908 -3.526269 -0.281401
H -4.171340 2.751153 -1.920170
H -4.364586 0.253527 -2.546528
H -5.893815 1.147272 -2.382006
H -2.880343 0.700814 -0.000213
H -2.313412 1.073468 -1.639512
H -6.051969 2.875998 -0.373030
H -4.571731 3.326866 0.512757
H -1.923207 3.488177 -0.947292
H -2.411344 3.072041 0.714846
H -5.465124 1.638375 1.993181
H 0.342616 3.005127 -1.719687
H -1.048603 1.328868 2.034186
H -5.571925 -1.523110 -3.130481
H -6.061125 -3.078362 -2.462418
H 2.643147 2.242838 -1.228225
H 1.295494 0.552915 2.538688
H 6.142659 0.863842 1.297566
H 5.412430 -1.430795 1.515942
H 7.070004 -1.364881 0.875952
H 4.237640 1.012426 -0.892621
H -6.690203 -2.588347 3.152189
H -6.867542 -3.861284 1.928139
H 6.174067 -1.828216 -1.480697
H 4.526058 -1.844424 -0.843446
H 8.583551 0.990334 -1.289579
H 5.394910 -5.256102 -1.168190


