%chk=000056475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056475

0 1
 O   -3.919900      0.3968000     -0.4579000    
 O    2.677800     -0.6623000      -1.459800    
 O    1.602900       3.227000     -0.3736000    
 N    1.543000      0.9479000      0.3222000    
 N    3.577100      -2.129500      9.5799997E-02
 C    2.261600     -0.1763000      0.8503000    
 C   9.9299997E-02  0.8022000      0.1166000    
 C    2.849200     -0.9965000     -0.2845000    
 C  -0.6766000       1.902100      0.3168000    
 C  -0.3600000     -0.4226000     -0.2596000    
 C   -2.579400      0.5317000     -0.2652000    
 C    2.150400       2.217300      7.6499999E-02
 C   -2.050700       1.763400      0.1209000    
 C   -1.734100     -0.5612000     -0.4555000    
 C   -4.487000     -0.8871000     -0.2012000    
 C   -5.931900     -0.7074000      0.2388000    
 C    3.609100       2.316200      0.4603000    
 C    3.765700      -2.503800       1.491900    
 C    4.202000      -3.021300     -0.8780000    
 C   -6.598300      -2.036600      0.5452000    
 H    3.070600      0.1592000       1.503000    
 H    1.599600     -0.7933000       1.467700    
 H  -0.3273000       2.854200      0.6943000    
 H   0.2624000      -1.291000     -0.4323000    
 H   -2.707200       2.613300      0.2876000    
 H   -2.101500      -1.528900     -0.7847000    
 H   -3.952400      -1.409700      0.6028000    
 H   -4.443700      -1.486400      -1.118000    
 H   -6.491800     -0.1813000     -0.5436000    
 H   -5.969900     -6.0100000E-02   1.123300    
 H    4.006200       3.278900      0.1221000    
 H    3.716000       2.268700       1.547100    
 H    4.196700       1.531000     -2.0800000E-02
 H    4.285800      -1.697300       2.016000    
 H    4.358900      -3.419700       1.570900    
 H    2.790600      -2.671400       1.957200    
 H    3.783000      -4.024400     -0.7577000    
 H    4.018200      -2.676900      -1.898700    
 H    5.280300      -3.042700     -0.6960000    
 H   -6.602600      -2.685700     -0.3363000    
 H   -7.636000      -1.878000      0.8549000    
 H   -6.078900      -2.559300       1.354600    


%chk=000056475-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056475

0 1
O -4.017452 0.337319 0.527663
O 2.748549 -0.883519 -1.428857
O 1.467189 3.106310 -0.762808
N 1.619575 1.037191 0.313871
N 3.732911 -2.114884 0.285412
C 2.447730 -0.040567 0.869851
C 0.182069 0.849681 0.326031
C 2.982087 -1.045308 -0.192245
C -0.671931 1.859150 0.841167
C -0.380802 -0.354560 -0.151919
C -2.620392 0.436909 0.427198
C 2.184979 2.178088 -0.291001
C -2.060891 1.656140 0.886893
C -1.775757 -0.573807 -0.093670
C -4.657341 -0.893523 0.030995
C -6.165254 -0.732886 0.239737
C 3.710862 2.247583 -0.341146
C 4.018566 -2.392989 1.701875
C 4.257074 -3.104367 -0.674191
C -6.943491 -1.977008 -0.241502
H 3.307874 0.392509 1.413991
H 1.836278 -0.582827 1.613007
H -0.244563 2.803978 1.185162
H 0.266692 -1.107466 -0.612548
H -2.732669 2.427914 1.274450
H -2.183359 -1.514139 -0.475695
H -4.270597 -1.770038 0.593697
H -4.418500 -1.031385 -1.044825
H -6.505618 0.167158 -0.305094
H -6.358658 -0.550503 1.313262
H 3.976919 3.172899 -0.872398
H 4.161762 2.283645 0.668825
H 4.132702 1.386254 -0.887669
H 3.706615 -1.564397 2.352539
H 5.105321 -2.546786 1.845392
H 3.496400 -3.311465 2.036564
H 3.853944 -4.111369 -0.452980
H 3.948393 -2.801498 -1.685839
H 5.361868 -3.146103 -0.624042
H -6.780762 -2.162177 -1.319984
H -8.028455 -1.844634 -0.084321
H -6.632664 -2.885320 0.308548


