%chk=000003277.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003277

0 1
 O   -2.922600      -1.837400      0.2019000    
 O   -3.006300      0.1599000     -0.9396000    
 N    3.121300     -0.9377000     -0.1514000    
 N    3.536700      0.3416000     -0.1259000    
 N    1.076100      -2.225300     -0.2511000    
 N  -0.7374000       1.642000     -0.3184000    
 N   1.7500000E-02   2.753800     -0.2798000    
 C    1.254900      0.2167000     -0.2320000    
 C    1.765600      -1.071700     -0.2143000    
 C  -0.1356000      0.3704000     -0.2957000    
 C    4.095900      -2.002400     -0.1141000    
 C  -0.9054000     -0.7922000     -0.3359000    
 C    2.397300       1.039500     -0.1752000    
 C  -0.2628000      -2.025500     -0.3119000    
 C    4.419800      -2.436000       1.305300    
 C   -2.359500     -0.7477000     -0.4028000    
 C  -0.5011000       3.805000      0.2784000    
 C   -4.352500      -1.909100      0.2003000    
 C   0.1813000       5.144300      0.4211000    
 C   -1.899700       3.686900      0.8315000    
 C   -4.783500      -3.175100      0.9095000    
 H    3.702000      -2.845300     -0.6922000    
 H    4.999900      -1.649500     -0.6231000    
 H    2.472100       2.116900     -0.1665000    
 H  -0.8226000      -2.956900     -0.3570000    
 H   -1.739500       1.694800     -0.4479000    
 H    4.824000      -1.602800       1.889800    
 H    5.162200      -3.239900       1.297000    
 H    3.525300      -2.802000       1.820500    
 H   -4.760800      -1.034900      0.7192000    
 H   -4.714700      -1.920500     -0.8336000    
 H  -0.4145000       5.910800     -8.1299998E-02
 H   0.2762000       5.392300       1.481400    
 H    1.175700       5.105300     -3.0900000E-02
 H   -1.981200       2.850100       1.531100    
 H   -2.154000       4.598000       1.382500    
 H   -2.622200       3.581600      1.7000001E-02
 H   -5.873400      -3.262300      0.9266000    
 H   -4.365700      -4.056600      0.4120000    
 H   -4.411600      -3.185400       1.939400    


%chk=000003277-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003277

0 1
O -3.031009 -1.954357 0.227872
O -3.040098 0.368282 0.317399
N 3.157466 -1.102839 -0.142679
N 3.609905 0.225802 -0.121445
N 1.040621 -2.328279 -0.046342
N -0.708492 1.609430 0.212806
N 0.057819 2.777918 0.208853
C 1.304511 0.179101 0.029909
C 1.781157 -1.173354 -0.051250
C -0.108423 0.375625 0.128606
C 4.111324 -2.216488 -0.225619
C -0.920466 -0.823740 0.136148
C 2.488509 0.990045 -0.019470
C -0.288940 -2.111912 0.047193
C 4.960394 -2.353824 1.052991
C -2.380073 -0.724877 0.233667
C -0.607358 3.915830 0.292922
C -4.521861 -1.914660 0.324988
C 0.211856 5.183870 0.290345
C -2.120769 4.022760 0.390682
C -4.998056 -3.362735 0.276980
H 3.508312 -3.123358 -0.402446
H 4.760512 -2.046210 -1.103017
H 2.560608 2.072383 0.012481
H -0.928215 -2.999032 0.054579
H -1.749181 1.591677 0.278786
H 5.521168 -1.423152 1.243691
H 5.681946 -3.182819 0.938338
H 4.322390 -2.566733 1.928389
H -4.795599 -1.408135 1.268130
H -4.910275 -1.311278 -0.515170
H -0.070787 5.833380 -0.561058
H 0.033801 5.769077 1.213540
H 1.285749 4.950500 0.218249
H -2.510144 3.498988 1.286470
H -2.435925 5.076019 0.450065
H -2.619836 3.566292 -0.487381
H -6.100625 -3.395317 0.347552
H -4.695819 -3.846054 -0.667656
H -4.578896 -3.944122 1.115802


