%chk=000009036.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009036

0 1
 O    4.925400      0.6206000     -0.4886000    
 N   -2.348100      0.5572000      -1.221100    
 C   0.2533000      -1.072800     -0.6643000    
 C  -0.9454000     -0.8428000      0.2586000    
 C   -1.344500      0.5948000     -0.1607000    
 C  -0.3376000     -0.8863000      -2.145400    
 C   0.7600000      -2.520600     -0.4580000    
 C  -0.6764000      -1.151800       1.743000    
 C    1.309800      3.8400002E-02 -0.2708000    
 C  -0.5836000       1.608500      0.6823000    
 C   -1.903000     -0.5066000      -2.201100    
 C    1.037200      -2.861100       1.010600    
 C  -0.1755000      -2.588100       1.898800    
 C   0.9168000       1.255400      0.4266000    
 C   -3.698500      0.3452000     -0.7277000    
 C    2.664100     -0.1336000     -0.5848000    
 C    1.886700       2.181700      0.8240000    
 C    3.610800      0.8141000     -0.1858000    
 C    3.227600       1.954600      0.5221000    
 C   -4.106900       1.414400      0.2386000    
 C   -4.472300       1.178900       1.503800    
 H   -1.741800      -1.556400      4.8000002E-03
 H  -0.7141000      0.9546000     -0.9872000    
 H  -0.2030000      -1.807900      -2.724700    
 H   0.2274000     -0.1082000      -2.675800    
 H    1.654400      -2.721600      -1.057200    
 H  -4.0000002E-03  -3.221100     -0.8233000    
 H   -1.602000      -1.021500       2.316200    
 H   6.5399997E-02 -0.4887000       2.196500    
 H  -0.8338000       1.554300       1.745700    
 H  -0.7845000       2.630800      0.3375000    
 H   -2.140800     -0.1614000      -3.213800    
 H   -2.468900      -1.434700      -2.044400    
 H    1.895400      -2.285500       1.375700    
 H    1.313600      -3.918900       1.090700    
 H  -0.9811000      -3.286100       1.639300    
 H   8.2999997E-02  -2.777700       2.946700    
 H   -3.812900     -0.6459000     -0.2712000    
 H   -4.397000      0.3806000      -1.572900    
 H    3.001700      -1.005700      -1.136900    
 H    1.601100       3.089500       1.348200    
 H    3.969300       2.687000      0.8311000    
 H   -4.114700       2.440600     -0.1207000    
 H    5.443200       1.366600     -0.1400000    
 H   -4.762300       1.997700       2.153100    
 H   -4.485800      0.1748000       1.913000    


%chk=000009036-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009036

0 1
O 4.977109 0.531725 -0.497678
N -2.403014 0.579814 -1.198321
C 0.271138 -1.084558 -0.695981
C -0.922220 -0.835309 0.248472
C -1.239884 0.611506 -0.273756
C -0.392238 -0.882163 -2.162775
C 0.844994 -2.514164 -0.515087
C -0.634334 -1.142731 1.732880
C 1.297278 0.052812 -0.274294
C -0.609166 1.629105 0.682434
C -1.949488 -0.520323 -2.189442
C 1.124061 -2.846433 0.973557
C -0.126762 -2.603843 1.858194
C 0.897959 1.244625 0.472020
C -3.744993 0.300373 -0.629205
C 2.667589 -0.119387 -0.564949
C 1.898123 2.145044 0.894748
C 3.642078 0.810938 -0.139074
C 3.268310 1.945767 0.610714
C -4.218606 1.452431 0.231278
C -4.688509 1.330534 1.497814
H -1.748951 -1.517824 -0.034129
H -0.518079 0.806314 -1.077929
H -0.292565 -1.831119 -2.727450
H 0.176043 -0.124054 -2.733934
H 1.753650 -2.676667 -1.126905
H 0.084287 -3.225489 -0.900189
H -1.554131 -1.002028 2.334699
H 0.132711 -0.466046 2.151476
H -0.925302 1.545849 1.738034
H -0.764965 2.675501 0.357888
H -2.213090 -0.200594 -3.216226
H -2.518409 -1.454435 -1.983034
H 1.959283 -2.219838 1.343194
H 1.451434 -3.900712 1.062308
H -0.932392 -3.303348 1.549722
H 0.109355 -2.834846 2.915191
H -3.784563 -0.651412 -0.039591
H -4.442810 0.177102 -1.483682
H 3.016745 -0.992556 -1.124245
H 1.596222 3.042613 1.448192
H 4.018611 2.670208 0.953154
H -4.159950 2.441840 -0.245359
H 5.583263 1.236641 -0.159772
H -5.037154 2.198852 2.068250
H -4.740971 0.355586 1.999285


