%chk=000153726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153726

0 1
 O   -4.984200      -2.665900      0.7027000    
 N   -2.595900       1.984400     -0.9436000    
 N    2.554400     -0.5665000       1.787900    
 N    3.472000       1.428200       1.050500    
 N    4.321900      -2.785900      -1.489600    
 C   -1.238600      0.5866000      0.1382000    
 C   -1.304800       1.824000     -0.4979000    
 C  -7.0000002E-03  0.1775000      0.6908000    
 C    1.118100       1.018700      0.5894000    
 C  -0.2017000       2.679300     -0.6125000    
 C   -2.540500     -3.1999999E-03  6.3900001E-02
 C    1.022600       2.265500     -5.9700001E-02
 C   -3.365000      0.8929000     -0.6166000    
 C    2.359900      0.6621000       1.118300    
 C   4.1400000E-02  -1.157000       1.372400    
 C   -3.094000      -1.220100      0.5144000    
 C  -0.3411000       3.996700      -1.309900    
 C    2.162300       3.073400     -0.1405000    
 C   -4.716900      0.6350000     -0.8706000    
 C    3.844600      -1.152700       1.971600    
 C    4.476400      -1.502200      0.6246000    
 C   -4.444500      -1.492400      0.2680000    
 C   -5.242000     -0.5770000     -0.4145000    
 C    3.343500       2.614900      0.4223000    
 C    3.645800      -2.454400     -0.2411000    
 C    4.516000      -1.585800      -2.305300    
 C    3.562300      -3.789900      -2.236800    
 C   -6.365100      -2.886100      0.4236000    
 H   -2.943700       2.789900      -1.444100    
 H   0.8918000      -1.766700       1.063900    
 H  -4.3099999E-02  -1.062100       2.458400    
 H  -0.7406000      -1.823700       1.039400    
 H   -2.559300      -1.963600       1.088800    
 H  -0.1077000       4.818300     -0.6241000    
 H   0.3303000       4.044000      -2.174100    
 H   -1.351600       4.177900      -1.686000    
 H    2.164900       4.044400     -0.6244000    
 H   -5.337800       1.348500      -1.402400    
 H    1.932100     -0.6932000       2.579500    
 H    4.504700     -0.4887000       2.542300    
 H    3.736800      -2.068600       2.564200    
 H    5.452100      -1.965500      0.8231000    
 H    4.690500     -0.5732000      8.9500003E-02
 H   -6.293100     -0.7395000     -0.6308000    
 H    4.247400       3.213700      0.3786000    
 H    2.660700      -2.021300     -0.4503000    
 H    3.475400      -3.371400      0.3375000    
 H    5.274300     -0.9215000      -1.880600    
 H    3.586300      -1.023500      -2.451400    
 H    4.900000      -1.856800      -3.296400    
 H    3.443300      -4.703500      -1.643500    
 H    4.097100      -4.078200      -3.148700    
 H    2.566600      -3.429100      -2.519300    
 H   -6.626100      -3.864800      0.8398000    
 H   -6.555900      -2.937800     -0.6537000    
 H   -7.000800      -2.148000      0.9245000    


%chk=000153726-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153726

0 1
O -5.063215 -2.731274 0.348890
N -3.068252 2.454231 -0.261697
N 2.603028 -0.360951 1.206454
N 3.361580 1.673798 0.390234
N 5.026443 -3.404524 -1.088850
C -1.485488 0.800103 0.058509
C -1.690229 2.222577 -0.127633
C -0.180888 0.276680 0.193867
C 0.916865 1.209629 0.251267
C -0.639037 3.142136 -0.218548
C -2.816125 0.177201 0.043492
C 0.686621 2.628171 -0.022311
C -3.769037 1.239387 -0.158138
C 2.303446 0.846034 0.589109
C -0.006633 -1.236662 0.139774
C -3.298871 -1.139346 0.218104
C -0.878459 4.609916 -0.520155
C 1.830958 3.492780 -0.147844
C -5.152380 1.002476 -0.209997
C 3.978077 -0.749940 1.571542
C 4.778255 -1.377949 0.405092
C -4.692509 -1.381047 0.165656
C -5.617471 -0.324301 -0.051856
C 3.109976 2.966304 -0.002133
C 4.194018 -2.722935 -0.067617
C 5.114805 -2.658814 -2.361652
C 4.584490 -4.797201 -1.308175
C -6.489345 -3.048620 0.309023
H -3.497993 3.363646 -0.405527
H 0.979622 -1.526110 -0.257581
H -0.148679 -1.728549 1.125559
H -0.764005 -1.667437 -0.535449
H -2.643564 -1.990949 0.411061
H -0.468538 5.261084 0.274754
H -0.395547 4.911923 -1.469076
H -1.951851 4.849199 -0.614041
H 1.703939 4.551147 -0.386184
H -5.865803 1.819016 -0.364956
H 1.837360 -0.955859 1.508738
H 4.508865 0.153879 1.917177
H 3.909113 -1.463692 2.415833
H 5.821115 -1.544312 0.738403
H 4.807259 -0.636905 -0.413119
H -6.692826 -0.519190 -0.091883
H 3.999607 3.585219 -0.166492
H 3.145573 -2.559769 -0.440103
H 4.122433 -3.405116 0.804181
H 5.571745 -1.669256 -2.197402
H 4.117182 -2.504084 -2.849190
H 5.758032 -3.214785 -3.067008
H 4.610546 -5.351615 -0.352654
H 5.271224 -5.299190 -2.013336
H 3.546521 -4.874988 -1.724903
H -6.547390 -4.135420 0.470312
H -6.934891 -2.795324 -0.673615
H -7.045174 -2.524322 1.111794


