%chk=000028886.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028886

0 1
 O  -0.4752000       1.624100      0.4916000    
 N    3.648000      0.5797000     -0.2583000    
 N   0.1671000     -0.6462000      0.2271000    
 C    4.290700       1.404900      -1.290700    
 C    3.872800       1.136600       1.083000    
 C    5.798000       1.509900      -1.053800    
 C    5.366700       1.232600       1.397600    
 C    6.104500       2.045700      0.3402000    
 C    2.215700      0.4503000     -0.5252000    
 C    1.574600     -0.4973000      0.4779000    
 C  -0.3500000      -2.003200      3.6899999E-02
 C  -0.7576000      0.4464000      0.2551000    
 C  -0.6852000      -2.713800       1.151000    
 C  -0.4616000      -2.463800      -1.241500    
 C   -2.196000      7.2899997E-02 -8.8000000E-02
 C   -1.178000      -4.006100      0.9700000    
 C  -0.9547000      -3.756000      -1.422700    
 C  -0.5520000      -2.183800       2.542100    
 C  -8.6400002E-02  -1.662300      -2.445900    
 C   -3.140900       1.250400     -7.0600003E-02
 C   -1.312900      -4.527100     -0.3170000    
 C   -3.793500       1.580200       1.106600    
 C   -3.338800       1.979600      -1.232300    
 C   -4.666900       2.667800       1.122500    
 C   -4.212000       3.067200      -1.216500    
 C   -4.876200       3.411200     -3.9000001E-02
 H    3.852000       2.411200      -1.316200    
 H    4.132200      0.9553000      -2.278500    
 H    3.463500      0.4965000       1.868700    
 H    3.408200       2.126300       1.182600    
 H    6.246600       2.165700      -1.808600    
 H    6.258700      0.5211000      -1.174700    
 H    5.797900      0.2246000       1.449600    
 H    5.509700       1.692600       2.382100    
 H    5.795500       3.096200      0.4046000    
 H    7.183500       2.014800      0.5266000    
 H    1.738600       1.436600     -0.5149000    
 H    2.072300      4.5299999E-02  -1.533400    
 H    2.071400      -1.475200      0.4624000    
 H    1.623600     -0.1038000       1.496800    
 H   -2.244200     -0.3812000      -1.082100    
 H   -2.566900     -0.6699000      0.6270000    
 H   -1.461000      -4.621300       1.820000    
 H   -1.063200      -4.176600      -2.419000    
 H   -1.083800      -1.234000       2.655200    
 H   0.5027000      -2.042500       2.798100    
 H  -0.9768000      -2.873600       3.279800    
 H   0.9792000      -1.792900      -2.659800    
 H  -0.6496000      -1.993600      -3.325800    
 H  -0.2967000     -0.5955000      -2.336000    
 H   -1.696000      -5.533500     -0.4579000    
 H   -3.635200       1.008900       2.016800    
 H   -2.824400       1.720900      -2.153400    
 H   -5.183500       2.936200       2.039400    
 H   -4.374400       3.646600      -2.120600    
 H   -5.555800       4.258200     -2.6600000E-02


%chk=000028886-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028886

0 1
O -0.139970 2.109552 -0.853275
N 3.760329 0.585618 -0.131613
N 0.015324 -0.136213 -0.275653
C 4.980208 -0.049829 -0.690536
C 3.864872 2.069212 -0.153168
C 6.228553 0.357312 0.119781
C 5.074592 2.547081 0.674519
C 6.379138 1.895794 0.158675
C 2.501464 0.097534 -0.738381
C 1.360315 0.124011 0.309526
C -0.524781 -1.482458 -0.197338
C -0.672170 0.952999 -0.810765
C -1.036345 -1.943952 1.052956
C -0.509219 -2.323727 -1.349704
C -2.118783 0.738627 -1.285865
C -1.526889 -3.270346 1.131773
C -1.012847 -3.643103 -1.227195
C -1.081342 -1.037126 2.268696
C 0.002806 -1.832150 -2.692312
C -3.129457 1.104424 -0.196227
C -1.515426 -4.117559 0.002855
C -4.076120 0.153229 0.260314
C -3.138162 2.407444 0.367600
C -5.020357 0.496536 1.255697
C -4.079032 2.749428 1.363850
C -5.025489 1.796619 1.810799
H 5.135286 0.237780 -1.765149
H 4.848894 -1.147801 -0.657669
H 2.928879 2.500958 0.242952
H 3.970281 2.439534 -1.207453
H 7.126913 -0.113252 -0.324856
H 6.120327 -0.029295 1.151772
H 4.914559 2.269209 1.734336
H 5.142867 3.650877 0.622491
H 6.594076 2.269222 -0.864420
H 7.236994 2.185310 0.794910
H 2.195342 0.706955 -1.621960
H 2.656804 -0.942790 -1.081769
H 1.564530 -0.636080 1.081474
H 1.333015 1.118734 0.786428
H -2.248960 1.409338 -2.154337
H -2.292199 -0.297656 -1.616843
H -1.925964 -3.634057 2.085822
H -1.003768 -4.299808 -2.105117
H -1.562706 -0.071931 2.030477
H -0.068867 -0.806822 2.650230
H -1.648022 -1.509871 3.088402
H 0.179622 -2.679715 -3.376050
H -0.725426 -1.157846 -3.183877
H 0.940532 -1.260847 -2.592872
H -1.897065 -5.141673 0.081111
H -4.072404 -0.859272 -0.161997
H -2.397949 3.139836 0.025403
H -5.748499 -0.249052 1.595260
H -4.076381 3.759401 1.789737
H -5.757624 2.064957 2.580855


