%chk=000006757.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006757

0 1
 O   0.2093000       2.257500      0.1084000    
 O    1.690800       3.639800      0.9929000    
 O    2.065700       1.370700       1.147900    
 O    1.558000      -3.195900       2.262300    
 N   -2.150100     -0.2933000      -1.274300    
 N    2.614300     -0.9980000      -2.699200    
 C   -3.917900      0.9870000      0.1368000    
 C   -1.618000       1.041100     -0.8893000    
 C   -2.641800       1.832400     -4.3200001E-02
 C   -3.483700     -0.3163000      0.8479000    
 C   -4.453000      0.6694000      -1.271800    
 C   -2.522300      -1.090000     -8.0700003E-02
 C   -3.380500     -8.5100003E-02  -2.073500    
 C  -0.2575000      0.9466000     -0.1943000    
 C   -4.651700      -1.158300       1.265800    
 C   0.7608000      0.2354000      -1.049400    
 C   -4.925100      -1.482000       2.534300    
 C    1.407200     -0.9224000     -0.6148000    
 C    1.030300      0.7779000      -2.291700    
 C    1.391900       2.326600      0.7876000    
 C    2.343000      -1.517300      -1.486900    
 C    1.148200      -1.491600      0.6435000    
 C    1.961300      0.1257000      -3.074500    
 C    2.992100      -2.673000      -1.061300    
 C    1.811800      -2.647900       1.043600    
 C    2.734900      -3.239000      0.1899000    
 C    2.911000       3.893000       1.697300    
 C    3.095600       5.388600       1.842000    
 C    2.275400      -4.381300       2.604300    
 H   -4.662400       1.538600      0.7217000    
 H   -1.485400       1.627900      -1.808900    
 H   -2.892900       2.773600     -0.5484000    
 H   -2.243000       2.098600      0.9431000    
 H   -2.920000     -3.0300001E-02   1.748000    
 H   -4.711100       1.601900      -1.788600    
 H   -5.371000      7.4600004E-02  -1.216200    
 H   -2.961100      -2.040200     -0.4150000    
 H   -1.634800      -1.391400      0.4798000    
 H   -3.774800      -1.052600      -2.409200    
 H   -3.141000      0.4642000      -2.992700    
 H  -0.4320000      0.4832000      0.7756000    
 H   -5.309900      -1.542000      0.4906000    
 H   -4.305200      -1.138900       3.355100    
 H   -5.783300      -2.101900       2.769900    
 H   0.5635000       1.685200      -2.655900    
 H   0.4566000      -1.075100       1.364900    
 H    2.222500      0.5020000      -4.058100    
 H    3.719500      -3.154500      -1.712500    
 H    3.290600      -4.139100      0.4301000    
 H    3.751100       3.468700       1.136100    
 H    2.863600       3.428000       2.688300    
 H    2.253700       5.830000       2.385700    
 H    3.126600       5.870000      0.8590000    
 H    4.021100       5.618500       2.377200    
 H    2.030400      -5.208400       1.929300    
 H    3.353600      -4.196800       2.659700    
 H    1.949600      -4.678700       3.606400    


%chk=000006757-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006757

0 1
O 0.359174 2.325437 -0.034336
O 1.632766 3.923340 0.852551
O 1.671720 1.795439 1.847507
O 1.706157 -3.544486 2.075548
N -2.065932 -0.389171 -0.975855
N 2.684304 -1.149371 -2.924995
C -3.833720 1.079516 0.232596
C -1.495986 0.972949 -0.720500
C -2.465385 1.814983 0.179449
C -3.632429 -0.244820 1.044908
C -4.300510 0.768528 -1.217925
C -2.498495 -1.057061 0.288077
C -3.262416 -0.222841 -1.860765
C -0.062089 0.882536 -0.149709
C -4.899843 -1.051352 1.208646
C 0.916981 0.155051 -1.058405
C -5.505258 -1.327233 2.391470
C 1.529787 -1.103729 -0.701535
C 1.230629 0.715360 -2.301358
C 1.267395 2.597481 0.974989
C 2.404393 -1.719450 -1.689393
C 1.341779 -1.765600 0.547990
C 2.112996 0.038966 -3.197096
C 3.022412 -2.972152 -1.388760
C 1.966707 -2.991334 0.811835
C 2.813282 -3.609547 -0.166131
C 2.602784 4.405468 1.888590
C 2.933573 5.848665 1.528482
C 2.352580 -4.813820 2.417845
H -4.582209 1.710175 0.745289
H -1.407633 1.453064 -1.714105
H -2.582068 2.834241 -0.229551
H -2.060273 1.923223 1.204852
H -3.269932 0.037386 2.053823
H -4.353079 1.712848 -1.792550
H -5.318421 0.338590 -1.217675
H -2.859458 -2.065852 0.018591
H -1.620797 -1.201505 0.940711
H -3.704288 -1.224827 -2.010113
H -2.918820 0.136982 -2.847153
H -0.065357 0.461174 0.868865
H -5.342175 -1.454768 0.282881
H -5.100910 -0.957727 3.342796
H -6.418528 -1.930560 2.445726
H 0.811031 1.684511 -2.589262
H 0.733060 -1.329620 1.344054
H 2.354185 0.481867 -4.170755
H 3.668940 -3.406846 -2.157022
H 3.300007 -4.567570 0.038356
H 3.489185 3.746589 1.867794
H 2.123483 4.314400 2.880187
H 2.025536 6.475150 1.533800
H 3.392573 5.908643 0.527224
H 3.646911 6.261594 2.264824
H 2.036029 -5.626632 1.735689
H 3.456009 -4.723173 2.403503
H 2.014144 -5.037711 3.440102


