%chk=000063256.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063256

0 1
 O  -0.7398000     -0.7403000       2.030100    
 N  -0.2462000     -0.8148000     -0.2720000    
 N    2.145700     -0.3737000      0.1501000    
 N    3.322300     -0.9848000      0.3702000    
 N   -1.987300     -0.3800000      -1.834200    
 C    1.105300      -1.235400     -2.3000000E-02
 C  -0.7478000     -0.6554000      -1.566100    
 C   -1.071300     -0.6089000      0.8541000    
 C   -2.477700     -0.2653000      0.5573000    
 C    1.632400      -2.495900      9.0300001E-02
 C   -2.881100     -0.1899000     -0.7758000    
 C    3.002300      -2.281000      0.3326000    
 C    2.087800       1.020500      0.1179000    
 C   0.1812000     -0.7427000      -2.759700    
 C   -3.392400     -4.5400001E-02   1.594100    
 C   -4.217700      0.1104000      -1.063300    
 C    4.047200      -3.298300      0.5370000    
 C   0.9237000       1.666100      0.5129000    
 C    3.194500       1.742300     -0.3085000    
 C   -4.720700      0.2533000       1.294000    
 C   -5.134000      0.3302000     -3.3799998E-02
 C   0.8655000       3.059400      0.4811000    
 C    3.136200       3.135500     -0.3402000    
 C    1.971700       3.794100      5.4600000E-02
 H    1.102000      -3.433900      9.4999997E-03
 H   0.6640000      -1.723500      -2.783500    
 H   0.9511000      2.9899999E-02  -2.684400    
 H  -0.3709000     -0.6006000      -3.693100    
 H   -3.091300     -0.1044000       2.636400    
 H   -4.553300      0.1787000      -2.095400    
 H    3.635700      -4.310900      0.4735000    
 H    4.830400      -3.206800     -0.2227000    
 H    4.509400      -3.185500       1.523300    
 H   7.8500003E-02   1.222700      0.9868000    
 H    4.111700       1.258000     -0.6330000    
 H   -5.433300      0.4246000       2.095500    
 H   -6.168400      0.5631000     -0.2686000    
 H  -2.9200001E-02   3.575400      0.8179000    
 H    3.997000       3.708000     -0.6734000    
 H    1.928700       4.879200      3.6400001E-02


%chk=000063256-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063256

0 1
O -0.765658 -0.740374 2.138404
N -0.312416 -0.787028 -0.167894
N 2.109011 -0.301510 0.178649
N 3.319113 -0.991735 0.310055
N -2.002186 -0.326875 -1.827877
C 1.034620 -1.190251 0.097452
C -0.750135 -0.607636 -1.512905
C -1.204673 -0.636183 0.957709
C -2.599385 -0.350035 0.585338
C 1.558803 -2.481969 0.200973
C -2.951352 -0.204652 -0.794527
C 2.974084 -2.316185 0.335310
C 2.119488 1.131663 0.108811
C 0.279922 -0.740684 -2.606251
C -3.587842 -0.211081 1.594981
C -4.301617 0.076686 -1.139820
C 4.035965 -3.366522 0.500095
C 1.124156 1.888658 0.771023
C 3.158864 1.770552 -0.609381
C -4.917963 0.065177 1.239205
C -5.272246 0.208641 -0.132731
C 1.152594 3.296824 0.674707
C 3.182743 3.178765 -0.684623
C 2.174987 3.946649 -0.054281
H 0.993365 -3.410994 0.192958
H 0.762374 -1.734101 -2.592998
H 1.080230 0.014382 -2.500245
H -0.228387 -0.592209 -3.569239
H -3.282158 -0.326479 2.639970
H -4.549739 0.185035 -2.199744
H 4.015903 -4.095862 -0.330145
H 5.030880 -2.892659 0.525804
H 3.897464 -3.930564 1.440527
H 0.375982 1.389286 1.392643
H 3.935242 1.160180 -1.078927
H -5.683861 0.170645 2.014603
H -6.311246 0.424979 -0.404669
H 0.384985 3.885529 1.188400
H 3.987441 3.676148 -1.236874
H 2.194551 5.039790 -0.119585


