%chk=000090506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090506

0 1
 O    3.906800      0.9232000       1.401200    
 O    6.728200      0.1330000      -1.821800    
 O    4.495300      -2.562100      0.2766000    
 N    4.101100      1.3800000E-02 -0.6919000    
 C    5.326300     -0.3333000      5.5599999E-02
 C  -0.3878000       1.061000     -9.4099998E-02
 C   -1.539600      0.1013000      0.2119000    
 C   0.9917000      0.4626000      0.1913000    
 C   -2.892200      0.7357000     -0.1199000    
 C    4.994100      1.2400000E-02   1.502900    
 C    2.141400       1.408700     -0.1372000    
 C   -4.047300     -0.2089000      0.2166000    
 C    3.434100      0.7384000      0.1486000    
 C   -5.397500      0.4117000     -0.1458000    
 C    6.476500      0.5210000     -0.4856000    
 C    5.630000      -1.816600     -0.1259000    
 C   -6.550900     -0.5466000      0.1603000    
 C   -7.897700      6.3600004E-02 -0.2345000    
 C   -9.084700     -0.8654000      2.9200001E-02
 C   -10.42790     -0.2537000     -0.3375000    
 H   -1.413300     -0.8207000     -0.3681000    
 H   -1.510700     -0.1765000       1.272400    
 H  -0.5109000       1.976300      0.4981000    
 H  -0.4360000       1.357600      -1.149300    
 H    1.107200     -0.4648000     -0.3847000    
 H    1.047100      0.1731000       1.248600    
 H   -3.008800       1.670600      0.4418000    
 H   -2.924300      0.9925000      -1.185800    
 H    5.825800      0.4940000       2.027200    
 H    4.663900     -0.8421000       2.102900    
 H    2.117600       1.692300      -1.195300    
 H    2.069900       2.329200      0.4523000    
 H   -4.027600     -0.4491000       1.286600    
 H   -3.919300      -1.151900     -0.3289000    
 H   -5.535800       1.345300      0.4129000    
 H   -5.407900      0.6683000      -1.212200    
 H    7.389700      0.3644000      9.8700002E-02
 H    6.229400       1.588200     -0.4728000    
 H    6.488500      -2.122300      0.4818000    
 H    5.829300      -2.071800      -1.171600    
 H   -6.403500      -1.487000     -0.3843000    
 H   -6.556700     -0.7890000       1.229700    
 H   -8.045300      0.9998000      0.3182000    
 H   -7.879700      0.3249000      -1.299900    
 H   -8.951500      -1.794300     -0.5380000    
 H   -9.100700      -1.140900       1.090500    
 H    7.463900      0.6797000      -2.146300    
 H    4.714100      -3.502600      0.1629000    
 H   -10.46270      1.2000001E-03  -1.401400    
 H   -10.61250      0.6573000      0.2404000    
 H   -11.23740     -0.9601000     -0.1290000    


%chk=000090506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090506

0 1
O 3.799293 0.514702 1.480096
O 7.058408 0.684113 -1.617787
O 4.764630 -2.640395 -0.124725
N 4.480284 0.144358 -0.709833
C 5.640315 -0.328827 0.146055
C -0.334879 0.919785 -0.225496
C -1.542179 0.064841 0.220845
C 1.021130 0.305369 0.184427
C -2.902054 0.661525 -0.206664
C 5.124658 -0.186917 1.611260
C 2.219854 1.175078 -0.286253
C -4.110822 -0.195074 0.232593
C 3.548411 0.592260 0.095124
C -5.469574 0.389142 -0.215021
C 6.841558 0.598934 -0.175562
C 5.956786 -1.796559 -0.226589
C -6.678994 -0.469165 0.219638
C -8.036943 0.107100 -0.240705
C -9.246252 -0.753276 0.191736
C -10.598398 -0.172553 -0.275774
H -1.443040 -0.957237 -0.200881
H -1.522261 -0.051203 1.324432
H -0.425191 1.937266 0.209289
H -0.364619 1.047012 -1.327867
H 1.113308 -0.710121 -0.250166
H 1.067034 0.187977 1.283603
H -3.004501 1.683319 0.215377
H -2.919055 0.778478 -1.310635
H 5.763596 0.441784 2.253150
H 4.925859 -1.164054 2.080331
H 2.203713 1.291890 -1.383287
H 2.131034 2.182301 0.165182
H -4.103288 -0.301401 1.337640
H -4.000722 -1.220659 -0.178312
H -5.581845 1.414555 0.195772
H -5.475292 0.495729 -1.320197
H 7.780164 0.199847 0.249584
H 6.648485 1.603908 0.259730
H 6.679663 -2.227310 0.487630
H 6.393001 -1.823289 -1.244234
H -6.561969 -1.496859 -0.184234
H -6.679327 -0.569018 1.325448
H -8.157045 1.134381 0.163365
H -8.037334 0.207261 -1.346532
H -9.124312 -1.779920 -0.210385
H -9.246609 -0.851084 1.296711
H 6.155144 0.799656 -2.022391
H 4.091173 -2.268599 -0.752824
H -10.635003 -0.092413 -1.378806
H -10.758658 0.841056 0.138306
H -11.445636 -0.806296 0.045233


