%chk=000053961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053961

0 1
 O  -9.7800002E-02 -0.2343000      -1.429100    
 N   -2.509900     -0.3140000     -8.8399999E-02
 N    1.011400     -0.4623000      0.6276000    
 C   -3.774700     -0.7599000      0.5401000    
 C   -4.980600     -8.9800000E-02 -0.1494000    
 C   -4.867600       1.429100     -0.1434000    
 C   -2.374100       1.152300     -2.9300001E-02
 C   -3.532200       1.857900     -0.7309000    
 C   -1.330000     -0.9309000      0.5248000    
 C   -3.967700      -2.281400      0.4674000    
 C  -8.4600002E-02 -0.5020000     -0.2319000    
 C    2.345300     -0.1120000      0.3099000    
 C    3.230200      -1.098800     -9.8800004E-02
 C    2.745500       1.211900      0.4137000    
 C    4.545200     -0.7538000     -0.4108000    
 C    4.060600       1.556900      0.1017000    
 C    2.815600      -2.530000     -0.2152000    
 C    1.805000       2.287400      0.8525000    
 C    4.960300      0.5739000     -0.3105000    
 H   -3.779500     -0.4700000       1.600200    
 H   -5.910300     -0.3793000      0.3556000    
 H   -5.060700     -0.4415000      -1.186700    
 H   -4.955300       1.800500      0.8850000    
 H   -5.690300       1.869900     -0.7169000    
 H   -1.463600       1.515500     -0.5147000    
 H   -2.326400       1.488400       1.015800    
 H   -3.509500       1.628100      -1.803700    
 H   -3.418900       2.943600     -0.6336000    
 H   -1.255700     -0.6698000       1.587500    
 H   -1.354200      -2.022200      0.4384000    
 H   -3.258900      -2.812500       1.110100    
 H   -4.970700      -2.561300      0.8091000    
 H   -3.849700      -2.650400     -0.5575000    
 H   0.9055000     -0.8948000       1.542800    
 H    5.259500      -1.506500     -0.7341000    
 H    4.400900       2.586600      0.1732000    
 H    2.058300      -2.645700     -0.9974000    
 H    3.658900      -3.178900     -0.4761000    
 H    2.412400      -2.893100      0.7360000    
 H    1.021000       2.436300      0.1030000    
 H    1.344100       2.030500       1.812100    
 H    2.317500       3.245900      0.9893000    
 H    5.984100      0.8426000     -0.5538000    


%chk=000053961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053961

0 1
O 0.029530 -0.037700 -1.636740
N -2.544626 -0.207617 -0.080291
N 0.986448 -0.484789 0.457085
C -3.850732 -0.874884 0.220012
C -5.012138 0.094762 -0.115932
C -4.881227 1.446852 0.615044
C -2.379784 1.076578 0.649939
C -3.503921 2.070961 0.310895
C -1.375699 -1.082903 0.109064
C -4.024514 -2.188528 -0.571416
C -0.074120 -0.467098 -0.455386
C 2.353908 -0.115948 0.194106
C 3.363205 -1.088268 0.466805
C 2.684663 1.189456 -0.272265
C 4.716352 -0.742909 0.245886
C 4.053095 1.486270 -0.496715
C 2.992813 -2.473368 0.968726
C 1.631426 2.254321 -0.494756
C 5.063026 0.535171 -0.244097
H -3.911522 -1.108798 1.319667
H -5.968448 -0.396876 0.148265
H -5.012120 0.262659 -1.211196
H -4.983300 1.289819 1.709319
H -5.696716 2.129822 0.310186
H -1.404546 1.510673 0.364050
H -2.358845 0.906111 1.761184
H -3.438234 2.325571 -0.763913
H -3.355867 3.003344 0.889225
H -1.224196 -1.361535 1.190241
H -1.535710 -2.020894 -0.450056
H -3.390440 -3.011037 -0.195458
H -5.073370 -2.528110 -0.496278
H -3.790133 -2.020465 -1.638418
H 0.798887 -0.943106 1.353095
H 5.497587 -1.485248 0.446673
H 4.321950 2.484929 -0.860185
H 2.236433 -2.949409 0.317188
H 3.879625 -3.128199 0.998085
H 2.572794 -2.451127 1.995269
H 1.041629 2.033849 -1.402867
H 0.916138 2.290255 0.348775
H 2.095117 3.249933 -0.598864
H 6.113980 0.789583 -0.420353


