%chk=000076808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076808

0 1
 O    1.227200      -2.163300      0.6183000    
 O   0.2930000       1.737200      -1.849700    
 O    2.790400      -2.598700     -0.9562000    
 N   0.9236000      0.3773000     -7.9800002E-02
 N  -0.5713000       3.380900      0.4033000    
 C    3.308700      0.3965000     -0.7280000    
 C    4.026300      0.4718000      0.6390000    
 C    1.958100     -0.3330000     -0.7859000    
 C  -0.8865000       1.959700      0.2551000    
 C    3.116300       1.182200       1.648200    
 C    4.437100     -0.8891000       1.196400    
 C   0.1636000       1.371600     -0.6824000    
 C   -2.295100       1.795300     -0.3344000    
 C    2.057600      -1.796900     -0.3871000    
 C   -2.886000      0.4306000     -6.8700001E-02
 C   -2.671600     -0.5904000     -0.9802000    
 C   -3.630300      0.2259000       1.081700    
 C   -3.216900      -1.850600     -0.7351000    
 C   -4.175600      -1.034500       1.327000    
 C   -3.968800      -2.072600      0.4185000    
 H    3.174800       1.420200      -1.103100    
 H    3.994600     -9.2100002E-02  -1.433400    
 H    4.932200       1.074900      0.4985000    
 H    1.645600     -0.3595000      -1.838900    
 H  -0.8298000       1.498500       1.247300    
 H   0.6948000      8.1600003E-02  0.8640000    
 H    2.335900      0.5321000       2.051400    
 H    2.666300       2.086800       1.227000    
 H    3.715900       1.499900       2.510000    
 H    5.147100     -0.7474000       2.019900    
 H    4.942400      -1.492900      0.4362000    
 H    3.600500      -1.456100       1.610500    
 H   -2.972500       2.543800      0.1009000    
 H   -2.305300       1.995000      -1.414500    
 H   0.3812000       3.491400      0.7488000    
 H  -0.6105000       3.845600     -0.5030000    
 H   -2.088000     -0.4280000      -1.881800    
 H   -3.794600       1.027100       1.796600    
 H    1.305500      -3.118100      0.8289000    
 H   -3.055500      -2.659000      -1.442200    
 H   -4.760400      -1.207800       2.225600    
 H   -4.393000      -3.054000      0.6097000    


%chk=000076808-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076808

0 1
O 1.039109 -2.181075 1.146868
O 0.418921 1.745530 -1.563941
O 2.374703 -2.958317 -0.588026
N 0.722567 0.224940 0.167154
N -0.543566 3.542549 0.583327
C 3.083027 0.034396 -0.816802
C 3.960975 0.413149 0.409518
C 1.665980 -0.599557 -0.602757
C -0.876438 2.105106 0.498895
C 3.419401 1.615958 1.223759
C 4.288019 -0.779615 1.340882
C 0.136757 1.339525 -0.388167
C -2.309013 1.945695 -0.094408
C 1.753189 -2.017993 -0.054378
C -2.798933 0.505997 -0.095795
C -2.643442 -0.319967 -1.239267
C -3.395244 -0.051924 1.065647
C -3.069578 -1.667623 -1.222892
C -3.820808 -1.399333 1.087455
C -3.657833 -2.213257 -0.058164
H 2.912402 0.939273 -1.428547
H 3.642189 -0.686542 -1.444977
H 4.921520 0.743741 -0.042074
H 1.254340 -0.700932 -1.629571
H -0.871369 1.691452 1.526421
H 0.398219 -0.139623 1.065855
H 2.523899 1.338686 1.807956
H 3.146462 2.457443 0.559827
H 4.187887 1.975081 1.934012
H 5.052817 -0.487602 2.084324
H 4.676101 -1.645132 0.773175
H 3.395101 -1.109449 1.904590
H -2.967966 2.591886 0.512877
H -2.289440 2.352252 -1.123584
H 0.305793 3.726723 1.132516
H -0.458483 3.953647 -0.356749
H -2.187405 0.100323 -2.144281
H -3.537924 0.579088 1.952545
H 1.103463 -3.126401 1.448639
H -2.947986 -2.288763 -2.117772
H -4.286860 -1.810994 1.990254
H -3.993551 -3.256440 -0.045946


