%chk=000037656.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037656

0 1
 O    6.347800       1.294100      7.6600000E-02
 N   0.2099000     -0.4323000     -0.7172000    
 N    3.804200      1.7000001E-02  0.1080000    
 C   -2.181500     -0.1170000      -1.106900    
 C  -0.7335000      0.3041000      -1.557500    
 C   -1.861300      -1.355700     -0.2863000    
 C  -0.4750000      -1.470700     -0.1112000    
 C    1.632500     -0.4094000     -0.9422000    
 C   -2.853200      0.9657000     -0.2491000    
 C   -2.976800     -0.5267000      -2.364300    
 C    2.360000      1.1000000E-02  0.3313000    
 C   -2.743600      -2.278300      0.2617000    
 C   4.1499998E-02  -2.529500      0.6221000    
 C    4.166400      0.9832000     -0.9382000    
 C    4.523200      0.3282000       1.351400    
 C   -2.182800       1.488200      0.8526000    
 C   -4.127100       1.417000     -0.5799000    
 C   -2.220400      -3.342300      0.9946000    
 C  -0.8366000      -3.467600       1.173100    
 C    5.678300      0.9798000      -1.145000    
 C    6.026900      0.3414000       1.091000    
 C   -2.792600       2.471500       1.631500    
 C   -4.736800       2.400600      0.1991000    
 C   -4.069400       2.927800       1.304800    
 H  -0.5533000      2.5599999E-02  -2.604700    
 H  -0.5643000       1.384900      -1.482600    
 H    1.984900      -1.384900      -1.300800    
 H    1.809400      0.3044000      -1.751500    
 H   -2.448400      -1.301600      -2.934800    
 H   -3.958500     -0.9475000      -2.117000    
 H   -3.126100      0.3252000      -3.037900    
 H    2.003700      0.9989000      0.6545000    
 H    2.126000     -0.6820000       1.146200    
 H   -3.815700      -2.179300      0.1291000    
 H    1.108200      -2.658200      0.7701000    
 H    3.835100       1.992600     -0.6621000    
 H    3.736200      0.7296000      -1.910100    
 H    4.302700     -0.4236000       2.117800    
 H    4.211300       1.308100       1.735900    
 H   -1.188900       1.154500       1.133400    
 H   -4.687900       1.039400      -1.427200    
 H   -2.888800      -4.078700       1.432000    
 H  -0.4424000      -4.302900       1.745700    
 H    6.034600      1.2000000E-02  -1.518900    
 H    5.956300       1.741400      -1.880800    
 H    6.560300      0.6326000       2.001500    
 H    6.394700     -0.6481000      0.7933000    
 H   -2.273200       2.882100       2.492500    
 H   -5.731300       2.756200     -5.4400001E-02
 H   -4.544200       3.693500       1.911400    


%chk=000037656-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037656

0 1
O 6.427744 1.371432 0.196494
N 0.144826 -0.611793 -0.848897
N 3.743980 0.249545 0.053748
C -2.251350 -0.258896 -1.151367
C -0.814078 0.148926 -1.684153
C -1.924117 -1.507848 -0.308020
C -0.512721 -1.642710 -0.168609
C 1.592280 -0.515432 -1.016802
C -2.820893 0.876827 -0.264249
C -3.177457 -0.608451 -2.341477
C 2.267273 0.231538 0.164178
C -2.787867 -2.425497 0.302394
C 0.045778 -2.704052 0.584267
C 4.242649 1.200241 -0.975486
C 4.404359 0.523725 1.358200
C -2.236523 1.132237 1.006695
C -3.881472 1.716543 -0.690581
C -2.243847 -3.500946 1.057826
C -0.841208 -3.628564 1.190462
C 5.773044 1.098533 -1.092651
C 5.930910 0.423704 1.208425
C -2.692461 2.191504 1.819161
C -4.344712 2.776531 0.124295
C -3.751198 3.021778 1.381703
H -0.710517 -0.139159 -2.754322
H -0.644561 1.237792 -1.602338
H 2.047672 -1.523018 -1.098500
H 1.798532 0.008656 -1.968916
H -2.763552 -1.469983 -2.893175
H -4.191283 -0.880860 -1.997291
H -3.269851 0.235441 -3.050255
H 1.831836 1.260147 0.239999
H 2.000621 -0.298902 1.097653
H -3.874463 -2.314018 0.206012
H 1.129217 -2.817951 0.697726
H 3.962310 2.254295 -0.720459
H 3.793584 0.956509 -1.955953
H 4.057933 -0.222223 2.098430
H 4.143419 1.541315 1.744524
H -1.427735 0.485795 1.364827
H -4.362227 1.549561 -1.659852
H -2.908442 -4.225949 1.539182
H -0.426967 -4.458999 1.774617
H 6.049917 0.081595 -1.445954
H 6.168871 1.854914 -1.790551
H 6.442391 0.697562 2.145997
H 6.209007 -0.612704 0.918447
H -2.227600 2.365720 2.796493
H -5.170153 3.407910 -0.224790
H -4.110400 3.841980 2.013493


