%chk=000043036.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043036

0 1
 O    1.678700       1.672900       1.404700    
 N    2.058200      0.5570000     -0.6251000    
 C   -4.663800      -2.069700      0.2497000    
 C   -4.794100     -0.5463000      5.5599999E-02
 C   -3.471300      0.1657000     -8.9800000E-02
 C   0.2641000       2.179000     -0.5008000    
 C   -1.042700       1.474700     -0.3568000    
 C   -2.829000      0.6433000       1.041600    
 C   -2.923000      0.3298000      -1.352100    
 C   -3.877000      -2.727800     -0.8867000    
 C   -3.981100      -2.365100       1.587400    
 C   -1.606900       1.302200      0.9072000    
 C   -1.700800      0.9886000      -1.486500    
 C   0.1922000       3.640000     -1.6700000E-02
 C    1.408100       1.444400      0.2291000    
 C    3.150400     -0.2900000     -0.3218000    
 C    3.670000      -1.106700      -1.312600    
 C    3.677500     -0.2842000      0.9591000    
 C    4.746900      -1.941400      -1.014000    
 C    4.754500      -1.118900       1.257600    
 C    5.289100      -1.947500      0.2709000    
 H   -5.674400      -2.495700      0.2724000    
 H   -5.357100     -0.1091000      0.8911000    
 H   -5.405900     -0.3484000     -0.8349000    
 H   0.5313000       2.235800      -1.565300    
 H   -3.261100      0.5212000       2.030500    
 H   -3.428400     -3.8899999E-02  -2.239900    
 H   -2.816600      -2.457300     -0.8785000    
 H   -4.301000      -2.464700      -1.861300    
 H   -3.928000      -3.818500     -0.7923000    
 H   -4.037100      -3.438000       1.804600    
 H   -2.920200      -2.096700       1.588300    
 H   -4.477100      -1.840400       2.410600    
 H   -1.111900       1.672000       1.800800    
 H   -1.275400       1.115200      -2.478500    
 H  -3.4200002E-02   3.713700       1.052600    
 H    1.151200       4.143900     -0.1811000    
 H  -0.5807000       4.193300     -0.5616000    
 H    1.717000      0.4879000      -1.581400    
 H    3.255200      -1.109800      -2.316700    
 H    3.319400      0.3240000       1.776300    
 H    5.163300      -2.586600      -1.782100    
 H    5.177500      -1.125400       2.258100    
 H    6.127600      -2.597600      0.5034000    


%chk=000043036-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043036

0 1
O 1.801108 1.966240 1.312447
N 2.104378 0.627335 -0.593640
C -4.669015 -2.146674 0.260195
C -4.777125 -0.583443 0.209825
C -3.465282 0.157877 -0.007574
C 0.320808 2.328677 -0.633019
C -0.983687 1.548940 -0.413728
C -2.659756 0.565641 1.089671
C -3.003510 0.468314 -1.312699
C -4.163264 -2.743005 -1.074065
C -3.807477 -2.637582 1.446846
C -1.441208 1.248354 0.895253
C -1.781819 1.149100 -1.513585
C 0.193057 3.804450 -0.184193
C 1.481222 1.643132 0.130126
C 3.157838 -0.245156 -0.194085
C 3.592859 -1.216459 -1.136936
C 3.778464 -0.176916 1.082478
C 4.633571 -2.108910 -0.811420
C 4.819919 -1.078532 1.391807
C 5.255843 -2.045796 0.457527
H -5.705999 -2.511568 0.421514
H -5.234849 -0.246155 1.160749
H -5.486487 -0.319909 -0.599606
H 0.549375 2.310534 -1.718463
H -2.999030 0.349786 2.110207
H -3.611937 0.181181 -2.179167
H -3.125964 -2.423119 -1.282791
H -4.796689 -2.425796 -1.924425
H -4.175468 -3.848236 -1.035557
H -3.817189 -3.741990 1.504515
H -2.756457 -2.313913 1.335927
H -4.185126 -2.244313 2.409845
H -0.836614 1.548432 1.759249
H -1.455967 1.386769 -2.534868
H 0.051676 3.858045 0.907925
H 1.106275 4.374415 -0.432740
H -0.671238 4.279889 -0.679622
H 1.726518 0.454626 -1.528770
H 3.114181 -1.273295 -2.123641
H 3.440783 0.570579 1.802138
H 4.957216 -2.852499 -1.548128
H 5.294403 -1.020604 2.377962
H 6.065063 -2.738545 0.711614


