%chk=000157431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157431

0 1
 O   -4.732800     -0.6036000      0.1361000    
 O    2.972200       2.846800     -0.2195000    
 O    4.758900      -1.350100      0.2039000    
 N   0.1189000      -1.107900      0.1837000    
 N    2.484500      -1.222400      0.1926000    
 N    3.857600      0.7254000     -7.4999998E-03
 C   -1.059400     -0.3197000      0.1042000    
 C  -0.9429000       1.081400     -3.7999999E-02
 C    1.388000     -0.5084000      0.1213000    
 C    1.501300      0.9773000     -2.9800000E-02
 C  -4.4700000E-02  -2.555300      0.3309000    
 C   0.3818000       1.706900     -0.1027000    
 C   -2.358100     -0.8606000      0.1599000    
 C   -2.085200       1.893300     -0.1195000    
 C   -3.491800     -4.6399999E-02  7.8299999E-02
 C    2.821000       1.636700     -9.8200001E-02
 C  -0.1075000      -3.246500      -1.015600    
 C   -3.355700       1.329000     -6.1200000E-02
 C    3.740800     -0.6588000      0.1339000    
 C   -5.846800      0.2831000      4.7400001E-02
 H   0.8194000      -2.962300      0.8726000    
 H  -0.8877000      -2.835500      0.9706000    
 H   0.4159000       2.786800     -0.2125000    
 H   -2.536000      -1.927900      0.2488000    
 H   -1.993500       2.971700     -0.2290000    
 H  -0.9728000      -2.914900      -1.598000    
 H   0.7900000      -3.041100      -1.608600    
 H  -0.1845000      -4.330300     -0.8833000    
 H   -4.190100       2.018000     -0.1303000    
 H    4.801100       1.100600     -4.6500001E-02
 H   -5.874100      0.9812000      0.8910000    
 H   -6.752500     -0.3290000      0.1104000    
 H   -5.876000      0.7978000     -0.9190000    


%chk=000157431-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157431

0 1
O -4.699589 -0.663915 0.104565
O 3.101990 2.818508 -0.195007
O 4.781232 -1.514894 0.175691
N 0.110508 -1.014919 0.199570
N 2.442574 -1.306174 0.173264
N 3.898962 0.626462 -0.010937
C -1.049009 -0.225650 0.104348
C -0.919942 1.210049 -0.030951
C 1.405612 -0.460475 0.116342
C 1.513606 0.984185 -0.017966
C 0.012444 -2.497927 0.354490
C 0.387234 1.785680 -0.085752
C -2.342816 -0.799868 0.139046
C -2.098542 2.005355 -0.110736
C -3.486959 0.021557 0.058099
C 2.874672 1.576573 -0.086500
C -0.174023 -3.212861 -0.998349
C -3.375568 1.439438 -0.066037
C 3.745636 -0.799656 0.118965
C -5.943782 0.113973 0.020226
H 0.964542 -2.817803 0.804874
H -0.808319 -2.718306 1.057572
H 0.524923 2.868332 -0.188510
H -2.504844 -1.875650 0.216392
H -1.985485 3.090753 -0.209346
H -1.083063 -2.877571 -1.527772
H 0.700950 -3.028863 -1.643856
H -0.251385 -4.302233 -0.833048
H -4.261842 2.075109 -0.128920
H 4.864792 0.968350 -0.047322
H -6.030590 0.820484 0.866814
H -6.747036 -0.633948 0.076005
H -6.007582 0.661203 -0.938854


