%chk=000131387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131387

0 1
 O   0.8242000      -1.910700      -1.486500    
 O    3.355200     -0.7415000      -1.854200    
 N   -1.172100      -2.131800      0.3477000    
 N    2.321100      -1.234000      0.1758000    
 N    5.686700      -1.104300     -0.1051000    
 N    3.514500       3.251200     -0.5745000    
 N    1.989200       3.222600       1.039500    
 C   0.2164000      -2.189600      0.8050000    
 C   0.4327000      -3.664000       1.153000    
 C  -0.5158000      -4.394900      0.2145000    
 C   -1.727900      -3.470600      0.1470000    
 C   -1.925400     -0.9770000      0.2591000    
 C    1.132300      -1.778000     -0.3055000    
 C   -3.311900      -1.014500     -3.9400000E-02
 C   -1.350300      0.3004000      0.4601000    
 C   -4.090700      0.1502000     -0.1350000    
 C   -3.480300       1.410000      7.2600000E-02
 C   -2.108800       1.467800      0.3694000    
 C    3.357800     -0.7499000     -0.6247000    
 C    4.540300     -0.2473000      0.2020000    
 C    4.876800       1.211000     -0.1450000    
 C   -5.462300      9.2200004E-02 -0.4314000    
 C   -4.259200       2.574700     -2.3000000E-02
 C    3.743600       2.159700      0.1757000    
 C   -6.220900       1.259500     -0.5226000    
 C   -5.620500       2.498300     -0.3189000    
 C    2.821000       2.137400       1.157200    
 C    2.434200       3.873100     -1.2700000E-02
 H   0.3729000      -1.578000       1.701400    
 H    1.467800      -3.999400       1.035300    
 H   0.1301000      -3.848000       2.191300    
 H  -0.7750000      -5.396300      0.5699000    
 H  -6.1500002E-02  -4.495900     -0.7782000    
 H   -2.228900      -3.575800     -0.8213000    
 H   -2.432800      -3.711700      0.9511000    
 H   -3.803800      -1.973000     -0.1995000    
 H  -0.2944000      0.4115000      0.6924000    
 H    2.443700      -1.194100       1.184300    
 H   -1.618500       2.425500      0.5324000    
 H    4.334200     -0.3363000       1.274200    
 H    5.761300       1.534200      0.4194000    
 H    5.126200       1.299500      -1.211300    
 H   -5.953300     -0.8650000     -0.5947000    
 H   -3.810800       3.553800      0.1325000    
 H    5.454000      -2.077000      9.0499997E-02
 H    5.908500      -1.050800      -1.098500    
 H   -7.280800       1.200800     -0.7527000    
 H   -6.211500       3.406700     -0.3901000    
 H    4.028000       3.561000      -1.389500    
 H    2.686700       1.419900       1.953300    
 H    2.024400       4.788200     -0.4157000    


%chk=000131387-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131387

0 1
O 1.121394 -1.949149 -1.609362
O 3.851530 -0.892965 -1.638464
N -1.129516 -2.185108 0.248006
N 2.463285 -1.306121 0.227512
N 5.980042 -0.637043 0.463143
N 2.466395 1.936994 -1.080455
N 1.305198 3.180244 0.405701
C 0.256234 -2.361225 0.674077
C 0.393114 -3.909879 0.818574
C -0.579337 -4.445656 -0.262185
C -1.753588 -3.441719 -0.220440
C -1.810331 -0.961355 0.277819
C 1.289343 -1.849833 -0.374942
C -3.186129 -0.881296 -0.027112
C -1.113110 0.254598 0.627260
C -3.884243 0.365401 0.011162
C -3.173531 1.576781 0.371251
C -1.775659 1.477786 0.672538
C 3.622861 -0.803822 -0.403135
C 4.623259 -0.079558 0.543327
C 4.660399 1.428932 0.132740
C -5.284683 0.462165 -0.297227
C -3.876466 2.824365 0.405777
C 3.304437 2.072602 0.042495
C -5.945613 1.692295 -0.253650
C -5.238973 2.887038 0.099883
C 2.562758 2.849244 0.941586
C 1.281991 2.612015 -0.818093
H 0.442226 -1.856676 1.646378
H 1.429547 -4.263418 0.681681
H 0.055914 -4.203925 1.829271
H -0.903882 -5.480157 -0.061336
H -0.095229 -4.412709 -1.252836
H -2.211488 -3.301869 -1.218153
H -2.552680 -3.769661 0.479109
H -3.748129 -1.781645 -0.296537
H -0.039242 0.235673 0.840792
H 2.422285 -1.181024 1.244055
H -1.205980 2.380757 0.925157
H 4.279232 -0.148483 1.593820
H 5.283905 1.954495 0.874510
H 5.184590 1.490347 -0.841368
H -5.832116 -0.448425 -0.570736
H -3.324490 3.732484 0.677163
H 6.092564 -1.554677 0.906791
H 6.351802 -0.629538 -0.494346
H -7.013919 1.748444 -0.492611
H -5.770379 3.844577 0.128072
H 2.680797 1.382669 -1.912410
H 2.860085 3.197246 1.928956
H 0.449928 2.649586 -1.516603


