%chk=000050515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050515

0 1
 O   0.5166000      -2.574300      0.4690000    
 O    1.709300       1.937100      0.5148000    
 N    1.181600     -0.3377000      0.4370000    
 N    4.813900     -0.5874000     -0.4067000    
 N   -4.467500      -2.604200     -0.3214000    
 C   -1.498300      0.3778000      3.7500001E-02
 C   -1.164600     -0.9805000      0.1315000    
 C    2.583700     -0.7119000      0.5887000    
 C  -0.5348000       1.389400      0.1548000    
 C   0.2414000      -1.381300      0.3579000    
 C   -2.851500      0.7393000     -0.1803000    
 C   0.8841000       1.035900      0.3823000    
 C    3.413700     -0.2287000     -0.5915000    
 C   -2.149300      -1.969500      1.3000000E-02
 C  -0.8987000       2.738600      5.8899999E-02
 C   -3.826100     -0.2631000     -0.2978000    
 C   -3.476100      -1.608100     -0.2015000    
 C   -3.199700       2.095100     -0.2749000    
 C   -2.229000       3.087100     -0.1557000    
 C    5.335500     -9.3999999E-03  0.8335000    
 C    5.615700     -0.1442000      -1.548900    
 H    2.895600     -0.2358000       1.524500    
 H    2.695800      -1.793900      0.7175000    
 H    3.029500     -0.7108000      -1.500300    
 H    3.324200      0.8494000     -0.7574000    
 H   -1.889600      -3.023100      8.5600004E-02
 H  -0.1613000       3.531800      0.1476000    
 H   -4.867300      8.8999998E-03 -0.4654000    
 H   -4.233100       2.391800     -0.4421000    
 H   -2.510800       4.133400     -0.2305000    
 H    4.953200     -0.5273000       1.718300    
 H    5.124900       1.063000      0.9184000    
 H    6.424000     -0.1372000      0.8848000    
 H    5.606500      0.9459000      -1.663500    
 H    5.243800     -0.5923000      -2.477200    
 H    6.655800     -0.4713000      -1.439700    
 H   -4.215000      -3.581000     -0.2524000    
 H   -5.431800      -2.342600     -0.4779000    


%chk=000050515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050515

0 1
O 0.742236 -2.412495 0.069347
O 1.640582 2.065983 1.049098
N 1.164580 -0.175406 0.592081
N 4.866682 -0.538453 -0.184393
N -4.290789 -2.622014 -0.933060
C -1.571575 0.476422 0.134926
C -1.133443 -0.877829 -0.011808
C 2.595229 -0.509342 0.826283
C -0.653674 1.510211 0.496643
C 0.296108 -1.233141 0.207785
C -2.963888 0.787225 -0.090128
C 0.779260 1.190794 0.732032
C 3.421154 -0.453111 -0.483482
C -2.034753 -1.885634 -0.364460
C -1.098537 2.835203 0.633264
C -3.867102 -0.257621 -0.448050
C -3.421828 -1.590864 -0.586931
C -3.384933 2.151524 0.059012
C -2.469872 3.150736 0.412715
C 5.447092 0.756982 0.227259
C 5.653850 -1.184562 -1.252142
H 2.983836 0.220538 1.552156
H 2.648184 -1.524575 1.246777
H 3.135049 -1.312099 -1.116146
H 3.161675 0.480084 -1.042099
H -1.653232 -2.908635 -0.466044
H -0.373042 3.606132 0.911120
H -4.923504 -0.013197 -0.615606
H -4.438913 2.403336 -0.108206
H -2.808265 4.186376 0.522184
H 4.850916 1.205544 1.039631
H 5.487481 1.499133 -0.610162
H 6.475131 0.601927 0.601428
H 5.680047 -0.599554 -2.207117
H 5.236924 -2.183150 -1.471547
H 6.697020 -1.318418 -0.911540
H -3.953937 -3.575862 -1.025240
H -5.277445 -2.443286 -1.095081


