%chk=000051659.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051659

0 1
 O    1.839000      -2.198600       1.950800    
 N   0.7221000     -0.3315000     -0.8395000    
 N    2.844900      -1.929300     -0.1198000    
 N    4.044000      -2.465300      0.3076000    
 C    1.573200       1.569400      0.4732000    
 C   0.5977000       1.103400     -0.6212000    
 C    3.028100       1.331700      0.1006000    
 C    1.332600       3.044900      0.8113000    
 C   0.5562000      -1.224100      0.1810000    
 C   0.7827000     -0.7693000      -2.227500    
 C    3.407500       1.449800      -1.221600    
 C    3.927800       1.004100       1.095100    
 C  -0.6203000      -1.646300      0.7060000    
 C   -1.940800      -1.200800      0.2890000    
 C    1.796200      -1.836500      0.7767000    
 C    4.742000       1.231300      -1.563400    
 C    5.262400      0.7857000      0.7534000    
 C   -3.811000      0.3377000      0.5209000    
 C   -2.536900     -0.1044000      0.9126000    
 C   -4.490200     -0.3415000     -0.5184000    
 C   -2.608800      -1.868800     -0.7330000    
 C    5.669500      0.8992000     -0.5760000    
 C   -3.875100      -1.443100      -1.135300    
 C   -4.425800       1.439600       1.137600    
 C   -5.764400      0.1007000     -0.9100000    
 C   -5.692300       1.865200      0.7359000    
 C   -6.360300       1.197000     -0.2858000    
 H    1.358100       1.005900       1.391300    
 H   0.7212000       1.665400      -1.554200    
 H  -0.4274000       1.328900     -0.3047000    
 H   0.2979000       3.206200       1.132300    
 H    1.990000       3.376400       1.622700    
 H    1.523100       3.689500     -5.4200001E-02
 H    1.651100     -0.3431000      -2.738100    
 H  -0.1199000     -0.4523000      -2.761200    
 H   0.8470000      -1.860400      -2.310500    
 H    2.731600       1.744100      -2.014900    
 H    3.620000      0.9142000       2.132500    
 H  -0.6377000      -2.378900       1.510000    
 H    5.061200       1.327900      -2.597000    
 H    5.984500      0.5268000       1.522200    
 H   -2.008900      0.4136000       1.712500    
 H   -2.156900      -2.724600      -1.229100    
 H    6.708900      0.7304000     -0.8418000    
 H   -4.378500      -1.980200      -1.936500    
 H   -3.922100       1.977300       1.938200    
 H   -6.304900     -0.4064000      -1.706600    
 H    2.790900      -1.612900      -1.080700    
 H   -6.156600       2.718700       1.221200    
 H   -7.346200       1.528900     -0.5981000    
 H    4.778900      -2.029300     -0.2475000    
 H    4.039200      -3.449000      4.0399998E-02


%chk=000051659-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051659

0 1
O 1.785600 -3.157057 1.406414
N 1.023532 -0.926487 -1.403827
N 3.174019 -2.114213 -0.142300
N 4.351557 -2.771644 0.310752
C 1.065408 1.506124 -0.652731
C 0.647309 0.466696 -1.726039
C 2.546708 1.415883 -0.283015
C 0.689136 2.927288 -1.152940
C 0.797223 -1.506586 -0.125620
C 1.210389 -1.819824 -2.565529
C 3.562681 1.429445 -1.275750
C 2.939803 1.341192 1.076748
C -0.280531 -1.297925 0.711581
C -1.588364 -0.698723 0.418484
C 1.933224 -2.333642 0.447566
C 4.928301 1.360675 -0.919267
C 4.304945 1.280161 1.440470
C -3.639141 0.434931 1.244910
C -2.337297 -0.114462 1.460208
C -4.220534 0.372972 -0.082303
C -2.194552 -0.771123 -0.892092
C 5.305575 1.285313 0.442445
C -3.466539 -0.256134 -1.128739
C -4.394169 1.046066 2.302671
C -5.526621 0.920020 -0.299045
C -5.664174 1.574474 2.061445
C -6.236384 1.511526 0.749864
H 0.473615 1.308358 0.260964
H 1.157249 0.709487 -2.680348
H -0.442321 0.587354 -1.915734
H -0.391002 2.990124 -1.382285
H 0.921636 3.684127 -0.383617
H 1.253100 3.193728 -2.066632
H 1.932607 -1.382813 -3.281595
H 0.256353 -2.001961 -3.109221
H 1.600385 -2.794554 -2.231049
H 3.288727 1.496403 -2.336343
H 2.167528 1.320868 1.855838
H -0.136343 -1.667652 1.735454
H 5.697498 1.365420 -1.700004
H 4.585196 1.222771 2.498557
H -1.908994 -0.074871 2.470235
H -1.659555 -1.297313 -1.689161
H 6.364090 1.227698 0.718950
H -3.915750 -0.340443 -2.125854
H -3.957209 1.091589 3.307573
H -5.964260 0.867485 -1.303413
H 3.309409 -1.323394 -0.776825
H -6.230963 2.038916 2.875888
H -7.234482 1.927972 0.574785
H 4.521964 -2.546461 1.304070
H 4.238917 -3.790483 0.203805


