%chk=000055175.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055175

0 1
 O   -1.050700      0.8809000       1.346100    
 O   -2.476400     -0.8572000       2.982400    
 O    3.022900      -1.380100      0.5605000    
 O    3.545300      0.3799000     -0.8033000    
 N   -2.878100      -1.368800     -0.6628000    
 N    1.508000      0.2724000      0.3528000    
 C   -2.466700      -1.627800      0.7103000    
 C   -2.956700     -0.5427000       1.672200    
 C   -2.351800      -2.384500      -1.564400    
 C   -2.474000      0.8577000       1.300500    
 C  -0.8896000      -2.095000      -1.891800    
 C   -3.199300      -2.426400      -2.832100    
 C  -0.4215000       1.737000      0.4824000    
 C   0.8481000       1.446600     -1.7400000E-02
 C   -1.067800       2.913700      0.1034000    
 C    1.471100       2.332800     -0.8961000    
 C  -0.4447000       3.799700     -0.7754000    
 C   0.8246000       3.509400      -1.275100    
 C    2.764400     -0.1775000     -4.1700002E-02
 C    4.287100      -1.978800      0.2522000    
 C    4.405700      -3.291400      0.9971000    
 H   -1.376600      -1.704900      0.7964000    
 H   -2.860900      -2.594200       1.052000    
 H   -4.051700     -0.5497000       1.715700    
 H   -2.423200      -3.380000      -1.107000    
 H   -3.897200      -1.358200     -0.7010000    
 H   -2.844800       1.575800       2.041600    
 H   -2.873800       1.117700      0.3129000    
 H  -0.7647000      -1.090300      -2.312200    
 H  -0.2437000      -2.175900      -1.012300    
 H  -0.5138000      -2.810900      -2.631400    
 H   -2.825700      -3.190600      -3.522400    
 H   -4.242600      -2.671000      -2.603100    
 H   -3.184000      -1.464800      -3.357700    
 H   -1.505500     -0.8031000       2.963300    
 H   -2.040500       3.198400      0.4932000    
 H    2.451000       2.181100      -1.325900    
 H  -0.9441000       4.719900      -1.064600    
 H    1.001800     -0.3334000      0.9945000    
 H    1.309400       4.201300      -1.957900    
 H    5.094400      -1.304700      0.5592000    
 H    4.352000      -2.158300     -0.8267000    
 H    4.323700      -3.130300       2.077100    
 H    3.593700      -3.969500      0.7144000    
 H    5.362000      -3.777100      0.7839000    


%chk=000055175-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055175

0 1
O -0.825596 0.587748 0.735868
O -1.932179 -0.916242 2.870946
O 3.235738 -1.280840 0.765182
O 4.063510 0.710771 -0.189013
N -3.305738 -1.870333 -0.520936
N 1.771223 0.378563 0.324368
C -2.398675 -1.936547 0.645634
C -2.644048 -0.738135 1.595923
C -2.851651 -2.557801 -1.764785
C -2.290408 0.603852 0.947545
C -1.766932 -1.722396 -2.479823
C -4.073534 -2.771279 -2.681246
C -0.228300 1.720062 0.140932
C 1.179594 1.602460 -0.073499
C -0.917957 2.889620 -0.231499
C 1.883181 2.680945 -0.657757
C -0.203903 3.962664 -0.817285
C 1.187358 3.855827 -1.025250
C 3.105654 0.024926 0.249792
C 4.623084 -1.823731 0.766856
C 4.545729 -3.219631 1.377360
H -1.355159 -1.896115 0.284973
H -2.503039 -2.868888 1.244908
H -3.713013 -0.710019 1.878373
H -2.418251 -3.561424 -1.527058
H -4.260063 -2.161912 -0.268180
H -2.547923 1.442877 1.621816
H -2.809749 0.696791 -0.024515
H -2.188359 -0.751925 -2.798575
H -0.904369 -1.516484 -1.820633
H -1.389572 -2.257831 -3.370633
H -3.771382 -3.246834 -3.630750
H -4.829898 -3.422399 -2.201531
H -4.547853 -1.799863 -2.914202
H -0.978401 -0.690693 2.715919
H -1.996423 2.974417 -0.072711
H 2.959352 2.584853 -0.816303
H -0.739936 4.872672 -1.106256
H 1.132541 -0.320824 0.710687
H 1.740605 4.685569 -1.477297
H 5.266256 -1.142404 1.352935
H 4.995947 -1.838583 -0.273501
H 4.158042 -3.177657 2.409628
H 3.885822 -3.874493 0.782868
H 5.553776 -3.672136 1.402524


