%chk=000115428.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115428

0 1
 O   -4.920600      -2.963700      0.9959000    
 N   0.2232000       1.505600      0.8176000    
 N    7.245700      -1.323600      -1.194100    
 C   -2.159400       1.093100      0.5409000    
 C   -1.736600       1.102300       2.023800    
 C  -0.8927000       1.701700     -0.1205000    
 C   -3.359200       2.028200      0.2952000    
 C  -0.2631000      0.7334000       1.959600    
 C   -2.532500     -0.3397000      0.1115000    
 C   -3.743400       2.142500      -1.185800    
 C    1.404100      0.9215000      0.2033000    
 C   -3.570100      -1.010300      0.7564000    
 C   -1.831500     -0.9602000     -0.9205000    
 C   -2.588400       2.642100      -2.054900    
 C   -4.222500      0.7811000      -1.695200    
 C    2.570500      0.8778000       1.191200    
 C   -3.907800      -2.306600      0.3675000    
 C   -2.169300      -2.256400      -1.309300    
 C    3.809100      0.2943000      0.5593000    
 C   -3.207400      -2.929700     -0.6654000    
 C    4.028300      -1.073100      0.6265000    
 C    4.708500       1.135100     -7.8599997E-02
 C    5.174000      -1.612700      4.1800000E-02
 C    5.854200      0.5956000     -0.6633000    
 C    6.087000     -0.7784000     -0.6030000    
 H   -2.292900      0.4154000       2.668300    
 H   -1.842700       2.108400       2.452200    
 H  -0.6138000       1.348200      -1.108100    
 H  -0.9599000       2.792700     -0.1550000    
 H   -4.234300       1.707200      0.8751000    
 H   -3.124600       3.035400      0.6672000    
 H   0.2462000       1.010800       2.887800    
 H  -0.1559000     -0.3481000       1.808700    
 H   -4.572200       2.858500      -1.256100    
 H    1.193600     -8.5699998E-02 -0.1800000    
 H    1.701300       1.531000     -0.6603000    
 H   -4.127900     -0.5406000       1.562100    
 H   -1.012800     -0.5040000      -1.459100    
 H   -3.034000       3.017100      -2.988300    
 H   -2.077900       3.513600      -1.639900    
 H   -1.908800       1.868600      -2.409000    
 H   -4.863300      0.2438000     -0.9953000    
 H   -4.907600      0.9994000      -2.529900    
 H   -3.472700      0.1717000      -2.190800    
 H    2.325800      0.2806000       2.078400    
 H    2.791600       1.887000       1.564000    
 H   -1.623500      -2.742900      -2.112600    
 H   -3.460400      -3.939200     -0.9777000    
 H    3.321900      -1.731300       1.124400    
 H    4.535000       2.206100     -0.1325000    
 H   -5.017200      -3.846500      0.5993000    
 H    5.343700      -2.685100      9.4999999E-02
 H    6.557800       1.256200      -1.163400    
 H    7.908100     -0.7189000      -1.661200    
 H    7.415400      -2.319600      -1.150400    


%chk=000115428-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115428

0 1
O -5.046887 -2.908547 0.965791
N 0.245627 1.313546 0.810218
N 7.463852 -1.344016 -1.220379
C -2.181034 1.088524 0.462377
C -1.800437 1.109328 1.991747
C -0.855016 1.655261 -0.142105
C -3.409528 2.030450 0.225174
C -0.331775 0.647697 2.004956
C -2.471447 -0.382479 0.073641
C -3.976335 2.300637 -1.205307
C 1.469009 0.714864 0.254815
C -3.595230 -1.026330 0.651512
C -1.649036 -1.141816 -0.799909
C -2.995063 3.037202 -2.150745
C -4.571756 1.057257 -1.910423
C 2.682158 0.846124 1.217828
C -3.900782 -2.367757 0.347777
C -1.957336 -2.487895 -1.099613
C 3.954774 0.277878 0.610763
C -3.087557 -3.116428 -0.536536
C 4.238445 -1.111811 0.660931
C 4.881059 1.107240 -0.072298
C 5.391224 -1.656353 0.060614
C 6.040061 0.582870 -0.679291
C 6.314524 -0.813907 -0.623461
H -2.454601 0.466617 2.604018
H -1.873232 2.146983 2.370358
H -0.645154 1.267938 -1.157756
H -0.946123 2.755717 -0.234382
H -4.250455 1.653887 0.843020
H -3.134295 3.014663 0.659850
H 0.190698 0.951882 2.931328
H -0.271238 -0.466411 1.930338
H -4.823662 2.999570 -1.026359
H 1.337450 -0.372209 0.009200
H 1.720166 1.234092 -0.689247
H -4.260747 -0.499332 1.342739
H -0.761244 -0.696127 -1.255248
H -3.519637 3.351585 -3.072874
H -2.571161 3.942215 -1.676363
H -2.157019 2.384794 -2.455407
H -5.289557 0.525190 -1.260008
H -5.103871 1.362871 -2.831644
H -3.786607 0.335800 -2.196385
H 2.444250 0.322785 2.164247
H 2.803904 1.918058 1.461952
H -1.309406 -3.053547 -1.778652
H -3.325935 -4.161288 -0.774490
H 3.546552 -1.781239 1.188478
H 4.694389 2.187643 -0.125330
H -5.178062 -3.850682 0.694378
H 5.585091 -2.734894 0.122221
H 6.740479 1.252763 -1.194243
H 8.124142 -0.742335 -1.702746
H 7.661468 -2.338831 -1.176272


