%chk=000031645.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031645

0 1
 O    1.498900      0.4104000     -0.6035000    
 O    1.693400     -0.9813000       1.236300    
 N   -2.574900      -1.797800     -0.1349000    
 N   -2.527700      0.5302000      0.1546000    
 N  -0.5189000     -0.6924000     -0.3722000    
 N    3.582500     -0.4282000     -2.7000001E-03
 C  -0.4349000       1.695400     -8.0799997E-02
 C   -1.792300       1.661300      0.1648000    
 C   0.1268000      0.4777000     -0.3404000    
 C   -1.837500     -0.5939000     -0.1171000    
 C   0.3457000       2.961000     -5.9400000E-02
 C   -2.538500       2.920200      0.4622000    
 C   -3.999100      -1.788400      0.1298000    
 C   -1.918200      -3.054500     -0.4319000    
 C    2.215600     -0.3867000      0.2939000    
 C    4.487700      -1.210900      0.8266000    
 C    4.191500      0.2778000      -1.125300    
 H   0.3131000       3.413400      0.9372000    
 H    1.401000       2.813000     -0.3090000    
 H  -5.4299999E-02   3.672100     -0.7898000    
 H   -3.598400       2.710400      0.6435000    
 H   -2.141600       3.404200       1.360100    
 H   -2.480800       3.613900     -0.3824000    
 H   -4.431100      -2.794100      9.0999998E-02
 H   -4.527600      -1.180200     -0.6125000    
 H   -4.206100      -1.386900       1.128000    
 H   -1.128900      -3.262500      0.2990000    
 H   -1.475500      -3.033500      -1.433800    
 H   -2.614700      -3.899200     -0.4036000    
 H    4.970700      -1.968400      0.2026000    
 H    3.959400      -1.707900       1.644000    
 H    5.246000     -0.5438000       1.246700    
 H    4.668600     -0.4563000      -1.781200    
 H    4.948800      0.9645000     -0.7358000    
 H    3.464700      0.8488000      -1.706000    


%chk=000031645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031645

0 1
O 1.617003 0.699245 -0.068851
O 2.032057 -0.767923 1.746626
N -2.387862 -1.790197 -0.194858
N -2.543676 0.548696 0.014158
N -0.372067 -0.553271 -0.127214
N 3.567202 -0.544447 -0.018494
C -0.487137 1.877293 0.168338
C -1.909930 1.751365 0.143425
C 0.206209 0.650092 0.018181
C -1.747638 -0.572487 -0.097799
C 0.215296 3.205570 0.335428
C -2.797804 2.968680 0.276909
C -3.859197 -1.835594 -0.205895
C -1.637250 -3.047381 -0.308697
C 2.386056 -0.292430 0.644714
C 4.559459 -1.419287 0.626380
C 3.918270 -0.003337 -1.339931
H -0.147489 3.742905 1.231842
H 1.301539 3.057649 0.438925
H 0.043472 3.871564 -0.532851
H -3.850430 2.669611 0.161947
H -2.669959 3.446577 1.267286
H -2.550697 3.733917 -0.482467
H -4.175573 -2.891679 -0.191812
H -4.272616 -1.344065 -1.106333
H -4.276896 -1.314275 0.672704
H -0.565011 -2.823453 -0.214782
H -1.821241 -3.534693 -1.286971
H -1.933698 -3.748855 0.494588
H 4.746634 -2.315585 0.004409
H 4.172274 -1.736110 1.606020
H 5.516278 -0.880772 0.767093
H 4.149458 -0.830854 -2.038382
H 4.809417 0.650586 -1.267301
H 3.078949 0.580348 -1.738335


