%chk=000150229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150229

0 1
 O   -1.436900       1.102100      0.6749000    
 N    1.047900      0.5341000      6.0899999E-02
 N   -2.953800     -0.2426000     -0.4510000    
 N   -6.331900       1.190100      0.1879000    
 N    3.871800      -2.558700     -0.1090000    
 C    1.550500      -1.817700     -1.3500000E-02
 C   0.6394000     -0.7494000      4.2300001E-02
 C    3.343900     -0.1792000     -3.0900000E-02
 C    2.914200      -1.509900     -5.0000001E-02
 C    2.362700      0.8250000      2.5599999E-02
 C  -0.7198000      -1.049400      7.8699999E-02
 C   -4.031100      0.7198000     -0.4943000    
 C   -5.268500      0.1942000      0.2184000    
 C    1.090500      -3.146000     -3.1300001E-02
 C   -1.713600      1.7200001E-02  0.1384000    
 C    4.708000      0.1591000     -6.6399999E-02
 C    2.784100       2.151900      4.4900000E-02
 C   -1.180300      -2.368300      6.1200000E-02
 C    4.138800       2.491500      9.4999997E-03
 C  -0.2735000      -3.419000      6.0000001E-03
 C    5.103100       1.493400     -4.6200000E-02
 C    4.548800       3.925100      3.1399999E-02
 C   -7.513200      0.7061000      0.9050000    
 C   -6.681200       1.530600      -1.192700    
 H   -3.702700       1.669800     -5.8400001E-02
 H   -4.207000      0.8798000      -1.562100    
 H   -5.589200     -0.7526000     -0.2370000    
 H   -5.002300     -3.1700000E-02   1.259300    
 H    1.751900      -4.004800     -7.1699999E-02
 H    5.503100     -0.5774000     -0.1107000    
 H    2.037400       2.944000      8.6700000E-02
 H   -2.234900      -2.620100      0.1257000    
 H   -3.104000      -1.107300     -0.9601000    
 H  -0.6259000      -4.446000      6.0000003E-04
 H    6.160900       1.739400     -7.6099999E-02
 H    4.862300      -2.371500     -0.1318000    
 H    3.595900      -3.528300     -0.1235000    
 H    5.554700       4.045700      0.4477000    
 H    4.540500       4.333700     -0.9840000    
 H    3.871100       4.517500      0.6556000    
 H   -7.263700      0.4768000       1.947000    
 H   -7.936000     -0.1945000      0.4449000    
 H   -8.290600       1.477800      0.9330000    
 H   -6.887200      0.6444000      -1.804000    
 H   -5.903600       2.131000      -1.674900    
 H   -7.577200       2.163100      -1.213500    


%chk=000150229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000150229

0 1
O -3.256722 -2.020068 1.433067
N 0.391658 -0.125427 0.229931
N -2.193456 -0.024066 0.854182
N -5.545450 1.523659 -0.086534
N 3.930246 -2.444398 -0.247288
C 1.548598 -2.316603 0.320181
C 0.363766 -1.479251 0.468789
C 2.800074 -0.278874 -0.344294
C 2.781828 -1.694005 -0.093584
C 1.565955 0.460602 -0.163191
C -0.884298 -2.103633 0.883324
C -3.404076 0.789869 1.005782
C -4.354919 0.653113 -0.212838
C 1.453849 -3.722019 0.587278
C -2.208425 -1.377410 1.077179
C 3.969215 0.442531 -0.763052
C 1.563165 1.877746 -0.405865
C -0.913174 -3.480341 1.127951
C 2.708778 2.562112 -0.811428
C 0.247115 -4.294766 0.984450
C 3.928312 1.814758 -0.989910
C 2.699888 4.056819 -1.067178
C -6.719058 1.008893 -0.818847
C -5.271103 2.936534 -0.409126
H -3.958945 0.466646 1.904062
H -3.095626 1.841731 1.145735
H -3.780853 0.855707 -1.153364
H -4.686805 -0.399384 -0.248151
H 2.328743 -4.375775 0.484625
H 4.924501 -0.075259 -0.915053
H 0.614959 2.405508 -0.258307
H -1.874839 -3.905590 1.435498
H -1.263666 0.361065 0.557428
H 0.186124 -5.369093 1.186196
H 4.834253 2.343455 -1.309573
H 4.804054 -2.014032 -0.532983
H 3.933485 -3.444533 -0.075014
H 3.431399 4.576526 -0.419687
H 2.977096 4.283762 -2.114248
H 1.706438 4.495733 -0.876742
H -6.943083 -0.018880 -0.484157
H -6.581167 0.989895 -1.930889
H -7.600095 1.639872 -0.599087
H -4.990872 3.095699 -1.483438
H -4.446965 3.321718 0.216426
H -6.166501 3.548253 -0.195756


