%chk=000121388.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121388

0 1
 O   -3.072600       3.630100     -0.1870000    
 O   -3.814900      0.9259000      1.3000000E-03
 N  -0.3040000       1.241000      0.4251000    
 N    2.338200      0.1812000      0.1913000    
 C   0.5715000       1.665900     -0.6742000    
 C   0.4969000      0.9699000       1.625000    
 C    1.595900      0.5799000      -1.011200    
 C    1.519900     -0.1387000       1.365000    
 C   -1.312700       2.263200      0.7016000    
 C   -2.161000       2.583000     -0.5315000    
 C    3.580700     -0.4398000      2.1400001E-02
 C   -2.960700       1.386100      -1.041300    
 C    4.779100      0.3007000     -4.6300001E-02
 C    3.665600      -1.842900     -8.8200003E-02
 C    6.009100     -0.3349000     -0.2160000    
 C    4.745900       1.790400      6.3500002E-02
 C    4.895600      -2.478500     -0.2579000    
 C    6.067300      -1.724600     -0.3218000    
 C   -4.124800     -0.4078000     -7.9999998E-04
 C   -4.180100      -1.100700      -1.205500    
 C   -4.382600      -1.057500       1.201500    
 C   -4.496700      -2.459200      -1.207900    
 C   -4.699200      -2.416000       1.199300    
 C   -4.756300      -3.116800     -5.4000001E-03
 H    1.091700       2.599700     -0.4222000    
 H   2.2399999E-02   1.830200      -1.604800    
 H  -0.1544000      0.6485000       2.446900    
 H    1.018400       1.877900       1.957000    
 H    1.092100     -0.2986000      -1.435000    
 H    2.279100      0.9662000      -1.777400    
 H    2.155100     -0.2457000       2.252900    
 H    1.004700      -1.094800       1.207900    
 H   -1.968200       1.936400       1.519400    
 H  -0.8453000       3.191900       1.058400    
 H   -1.560000       3.001100      -1.343000    
 H   -2.260700      0.6126000      -1.380100    
 H   -3.590900       1.696800      -1.883200    
 H    2.763900      -2.450100     -4.6399999E-02
 H   -3.595400       3.838700     -0.9799000    
 H    6.931400      0.2374000     -0.2692000    
 H    5.752800       2.213300      0.1514000    
 H    4.279100       2.228700     -0.8243000    
 H    4.191000       2.102000      0.9549000    
 H    4.940900      -3.560400     -0.3418000    
 H    7.024800      -2.219700     -0.4547000    
 H   -4.015000     -0.6208000      -2.165200    
 H   -4.338600     -0.5154000       2.141900    
 H   -4.548200      -3.003800      -2.146200    
 H   -4.901500      -2.928000       2.135400    
 H   -5.004300      -4.174100     -7.3000002E-03


%chk=000121388-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121388

0 1
O -3.220330 3.284823 -0.309800
O -3.732009 0.605335 0.163013
N -0.030166 1.308696 0.203406
N 2.699323 0.348278 0.154333
C 1.042090 2.089378 -0.461837
C 0.528907 0.513199 1.324579
C 2.150347 1.152250 -0.967708
C 1.632285 -0.432705 0.816472
C -1.205426 2.132006 0.575303
C -2.196740 2.273951 -0.607769
C 3.977822 -0.273068 -0.031819
C -2.847183 0.934920 -0.975704
C 5.154709 0.536051 -0.177761
C 4.110820 -1.690984 -0.016584
C 6.402558 -0.111248 -0.346785
C 5.101569 2.050707 -0.079915
C 5.369216 -2.309494 -0.169748
C 6.525088 -1.519250 -0.350941
C -4.483025 -0.581774 0.103449
C -4.418259 -1.506462 -0.967649
C -5.335654 -0.821912 1.209353
C -5.215913 -2.673798 -0.919488
C -6.123402 -1.989646 1.241206
C -6.069106 -2.923927 0.177332
H 1.491047 2.837801 0.239325
H 0.614189 2.642884 -1.318002
H -0.284977 -0.086378 1.772237
H 0.960605 1.167871 2.122160
H 1.725723 0.481766 -1.751952
H 2.954926 1.743005 -1.431529
H 2.066041 -0.980302 1.671769
H 1.168370 -1.174945 0.122743
H -1.733909 1.643457 1.414907
H -0.923538 3.157042 0.909096
H -1.665331 2.661491 -1.495387
H -2.064909 0.161427 -1.097212
H -3.454667 1.031119 -1.896307
H 3.219979 -2.316821 0.098746
H -3.887283 2.852092 0.285961
H 7.302400 0.508791 -0.448090
H 6.055777 2.446772 0.309267
H 4.927830 2.536460 -1.060993
H 4.284612 2.365217 0.594541
H 5.442207 -3.403129 -0.157885
H 7.507381 -1.987845 -0.475111
H -3.762873 -1.333183 -1.826042
H -5.365907 -0.090402 2.023158
H -5.165532 -3.388769 -1.748494
H -6.781674 -2.170771 2.098190
H -6.683006 -3.830075 0.205368


