%chk=000063060.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063060

0 1
 O   -4.046800       1.078800      0.7859000    
 O   -7.399400      0.2397000      -1.487700    
 N   -7.194700     -0.5305000     -0.3720000    
 C   -6.254300      0.1828000      0.5568000    
 C   -4.914800      0.4011000     -0.1135000    
 C    1.447400      0.1533000      0.1746000    
 C    1.965200      -1.114400      0.3018000    
 C   -6.599400      -1.847300     -0.7813000    
 C   -8.508300     -0.7621000      0.3182000    
 C   2.1600001E-02  0.3928000      0.3331000    
 C    1.144900      -2.342400      0.6683000    
 C    2.381300       1.288200     -0.1270000    
 C    3.412700      -1.403500      0.1437000    
 C   -2.703600      0.8522000      0.6367000    
 C  -0.4997000      0.6896000       1.592500    
 C  -0.8243000      0.3265000     -0.7738000    
 C   -1.867000      0.9201000       1.744700    
 C   -2.191600      0.5570000     -0.6216000    
 C   0.5772000      -3.056100     -0.5528000    
 C    2.948900       1.962400      0.9252000    
 C    2.625400       1.599600      -1.441300    
 C    4.229800      -1.347100       1.254600    
 C    3.897200      -1.720600      -1.109000    
 C    3.817500       3.017200      0.6449000    
 C    3.494200       2.654100      -1.721800    
 C    5.589900      -1.619300       1.106300    
 C    5.257300      -1.993000      -1.257300    
 C    4.090100       3.363000     -0.6786000    
 C    6.103500      -1.942200     -0.1497000    
 H   -6.158500     -0.4207000       1.466900    
 H   -6.723600       1.137400      0.8225000    
 H   -4.478000     -0.5675000     -0.3750000    
 H   -5.024400       1.005000      -1.021400    
 H   -7.393100      -2.424100      -1.266100    
 H   -6.243600      -2.363600      0.1138000    
 H   -5.805800      -1.673100      -1.511200    
 H   -9.180000      -1.243200     -0.3980000    
 H   -8.327400      -1.400500       1.186700    
 H   -8.902600      0.2137000      0.6144000    
 H    1.754300      -3.050200       1.244900    
 H   0.3204000      -2.074200       1.338200    
 H   0.1452000      0.7438000       2.466300    
 H  -0.4333000      0.1047000      -1.764000    
 H   -2.269100       1.150300       2.727200    
 H   -2.809100      0.5244000      -1.513800    
 H  -5.7000000E-02  -2.401000      -1.155200    
 H  -3.1199999E-02  -3.909500     -0.2354000    
 H    1.375200      -3.440700      -1.195800    
 H    2.742800       1.700300       1.958600    
 H    2.166300       1.053300      -2.259800    
 H    3.840000      -1.098300       2.237700    
 H    3.248400      -1.761300      -1.979400    
 H    4.281800       3.568800       1.457100    
 H    3.706900       2.923200      -2.752300    
 H    6.248800      -1.579800       1.968700    
 H    5.657300      -2.243600      -2.235500    
 H    4.766800       4.183900     -0.8969000    
 H    7.162400      -2.153900     -0.2653000    


%chk=000063060-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063060

0 1
O -4.107759 0.630316 0.625742
O -7.063621 -0.667915 -1.947158
N -7.485251 -0.486128 -0.588277
C -6.412519 0.291421 0.195310
C -5.015891 -0.210061 -0.176665
C 1.602426 -0.006438 0.262934
C 2.254055 -1.227004 0.348619
C -7.730754 -1.850533 0.051667
C -8.783569 0.312644 -0.572465
C 0.109507 0.117930 0.336999
C 1.539375 -2.519026 0.743974
C 2.337550 1.299568 0.140958
C 3.716031 -1.383098 0.050290
C -2.728078 0.412260 0.474402
C -0.493384 1.078028 1.201970
C -0.753567 -0.666498 -0.472122
C -1.888592 1.220685 1.281287
C -2.158312 -0.531248 -0.414697
C 1.521523 -3.602846 -0.365685
C 3.455989 1.602986 0.965590
C 1.887848 2.294318 -0.771667
C 4.569968 -2.140949 0.899847
C 4.278503 -0.832821 -1.136413
C 4.115265 2.846376 0.865532
C 2.551911 3.535209 -0.880399
C 5.936781 -2.318056 0.592214
C 5.641010 -1.015991 -1.450964
C 3.671117 3.817665 -0.062569
C 6.481084 -1.756526 -0.586008
H -6.599463 0.199954 1.281039
H -6.501973 1.348348 -0.103285
H -4.865072 -1.276476 0.083980
H -4.861773 -0.074822 -1.260901
H -8.464979 -2.365660 -0.583656
H -8.097717 -1.756765 1.090419
H -6.783130 -2.405991 0.020668
H -9.536389 -0.285777 -1.105825
H -9.114422 0.539054 0.458380
H -8.590854 1.235090 -1.138421
H 2.058941 -2.947661 1.626193
H 0.509151 -2.298400 1.069129
H 0.147752 1.712892 1.823035
H -0.318320 -1.381329 -1.178670
H -2.349227 1.949505 1.955365
H -2.784902 -1.144494 -1.068746
H 0.971193 -3.253432 -1.258481
H 1.030594 -4.524058 -0.001342
H 2.546274 -3.863293 -0.684836
H 3.801383 0.858375 1.690347
H 1.014222 2.086770 -1.400151
H 4.169585 -2.579960 1.821195
H 3.634677 -0.261519 -1.813355
H 4.973068 3.059316 1.513699
H 2.194759 4.281978 -1.598908
H 6.575980 -2.894198 1.271278
H 6.047336 -0.583357 -2.372361
H 4.184421 4.782784 -0.141465
H 7.540339 -1.897640 -0.828770


