%chk=000040393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040393

0 1
 O   -2.743700       1.002300     -0.8282000    
 O   -2.238700      0.3192000       1.427800    
 N    1.245900       2.194000     -9.4599999E-02
 N    3.663800     -0.6518000     -6.7000002E-02
 C   -2.426000       1.432000      0.5187000    
 C   -1.130400       2.241200      0.4737000    
 C   1.8600000E-02   1.406800     -7.9400003E-02
 C    2.377200       1.376600     -0.5368000    
 C    2.547600      0.1720000      0.3841000    
 C   -3.580700       2.288600       1.036400    
 C   -2.738400     -0.3523000     -0.6868000    
 C   -2.450100     -0.7423000      0.6010000    
 C    1.096600       3.364800     -0.9608000    
 C    3.812700      -1.830000      0.7887000    
 C    4.904100      0.1251000     -8.2099997E-02
 C   -2.986300      -1.271100      -1.685400    
 C   -2.393600      -2.072600      0.9616000    
 C    2.535000      -2.651700      0.8187000    
 C    6.063400     -0.7015000     -0.6118000    
 C   -2.935800      -2.625400      -1.346900    
 C   -2.641200      -3.023900     -3.0900000E-02
 H  -0.8755000       2.596700       1.480500    
 H   -1.319800       3.113100     -0.1614000    
 H   0.1030000      0.5627000      0.6050000    
 H  -0.2071000       1.020300      -1.080300    
 H    2.251500       1.053400      -1.579000    
 H    3.250300       2.032400     -0.4865000    
 H    1.657100     -0.4479000      0.3071000    
 H    2.669400      0.4901000       1.427800    
 H   -3.766600       3.146000      0.3812000    
 H   -3.386500       2.645600       2.053300    
 H   -4.506300       1.702500       1.071200    
 H   0.7153000       3.105300      -1.955200    
 H    2.061900       3.867500      -1.098100    
 H   0.4509000       4.125800     -0.5126000    
 H    4.100600      -1.560000       1.812500    
 H    4.584400      -2.498200      0.3927000    
 H    5.151900      0.5277000      0.9079000    
 H    4.842700      0.9646000     -0.7790000    
 H   -3.212700     -0.9596000      -2.698700    
 H   -2.165200      -2.375500       1.977100    
 H    1.761100      -2.204000       1.450300    
 H    2.130000      -2.816700     -0.1858000    
 H    2.747000      -3.638300       1.246900    
 H    6.913200     -4.4900000E-02 -0.8313000    
 H    5.803000      -1.218400      -1.542000    
 H    6.420200      -1.436600      0.1161000    
 H   -3.125400      -3.379300      -2.106100    
 H   -2.605500      -4.081900      0.2142000    


%chk=000040393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040393

0 1
O -3.029392 1.117200 -0.642247
O -2.100882 -0.095978 1.217918
N 1.251668 1.968731 -0.584320
N 4.116155 -0.384927 0.363118
C -2.348442 1.305987 0.698926
C -1.010423 2.013710 0.488194
C -0.020715 1.227598 -0.397395
C 2.422850 1.074885 -0.777023
C 2.919999 0.474746 0.558403
C -3.321559 2.007029 1.643259
C -3.374201 -0.250596 -0.719530
C -2.827432 -0.963430 0.371996
C 1.147171 3.015621 -1.621460
C 4.160712 -1.553778 1.281000
C 5.382021 0.396264 0.350141
C -4.119148 -0.885457 -1.717100
C -3.000520 -2.342849 0.514373
C 3.173352 -2.666341 0.878866
C 6.508800 -0.290329 -0.446083
C -4.307097 -2.290644 -1.584539
C -3.759704 -3.003707 -0.492798
H -0.543532 2.192679 1.473993
H -1.228087 3.003741 0.045508
H 0.196192 0.266357 0.098710
H -0.504042 0.989260 -1.375404
H 2.217887 0.238688 -1.487779
H 3.239396 1.674120 -1.222813
H 2.114109 -0.137285 1.002444
H 3.109507 1.311747 1.271958
H -3.553800 3.018018 1.266956
H -2.876975 2.091631 2.649432
H -4.260394 1.432734 1.717696
H 0.949554 2.607631 -2.645062
H 2.083910 3.599536 -1.657331
H 0.327716 3.715328 -1.377616
H 3.975284 -1.248361 2.342693
H 5.184819 -1.968883 1.250668
H 5.735004 0.618705 1.390075
H 5.167406 1.375060 -0.118374
H -4.534819 -0.324953 -2.558701
H -2.570581 -2.884743 1.360993
H 2.125644 -2.315032 0.900636
H 3.392684 -3.014278 -0.145560
H 3.252609 -3.524806 1.572285
H 7.419425 0.338037 -0.449336
H 6.188206 -0.458133 -1.489018
H 6.781146 -1.270178 -0.013727
H -4.887889 -2.823991 -2.344228
H -3.920693 -4.083965 -0.414997


