%chk=000052516.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052516

1 1
 O  -8.4899999E-02   1.786900      -1.924100    
 N    2.399800       1.163300     -0.5418000    
 N   -3.958100       1.025100       1.018900    
 C   0.9968000       1.116800      0.1239000    
 C    2.425700     -0.5356000       1.409600    
 C    2.827900     -0.2201000      -1.063800    
 C    1.027500      7.8699999E-02   1.260500    
 C    2.772800      -1.243500      8.2500003E-02
 C    3.421800       1.605000      0.5297000    
 C    3.414800      0.6037000       1.682200    
 C  -0.1255000      0.8270000     -0.8718000    
 C    2.448100       2.175200      -1.682500    
 C    4.045300      -2.033900      0.1698000    
 C   -1.483600      0.8610000     -0.2155000    
 C    4.117500      -3.357700     -5.2999998E-03
 C   -2.336400     -0.2427000     -0.2340000    
 C   -1.852700       2.037100      0.4090000    
 C   -3.586600     -0.1151000      0.4068000    
 C   -1.981100      -1.448000     -0.8632000    
 C   -3.095300       2.066900       1.008900    
 C   -4.444200      -1.211600      0.3934000    
 C   -2.858300      -2.528700     -0.8611000    
 C   -4.091300      -2.410000     -0.2320000    
 H   0.8769000       2.119800      0.5526000    
 H    2.430400      -1.246400       2.244400    
 H    3.834300     -0.1027000      -1.485000    
 H    2.155600     -0.4996000      -1.881700    
 H   0.3069000     -0.7315000       1.102600    
 H   0.7313000      0.5636000       2.199500    
 H    1.954500      -1.942200     -0.1451000    
 H    3.142700       2.611000      0.8630000    
 H    4.408200       1.648000      5.3599998E-02
 H    4.427500      0.2217000       1.851200    
 H    3.138600       1.122400       2.608900    
 H   9.2000000E-02 -0.1179000      -1.358500    
 H    3.500800       2.404300      -1.882400    
 H    2.040000       1.730500      -2.593000    
 H    1.937900       3.091600      -1.372900    
 H    4.969400      -1.497300      0.3688000    
 H  -0.8854000       1.676900      -2.465400    
 H    5.071600      -3.869000      6.1600000E-02
 H    3.236000      -3.952700     -0.2164000    
 H   -1.223400       2.919100      0.4283000    
 H   -1.039600      -1.617200      -1.370200    
 H   -3.448300       2.960600       1.513000    
 H   -5.415900      -1.144200      0.8794000    
 H   -2.581100      -3.459200      -1.347300    
 H   -4.781900      -3.248300     -0.2253000    


%chk=000052516-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052516

1 1
O 0.133273 1.629508 -2.159043
N 2.483145 1.362710 -0.385201
N -4.102842 1.104851 0.580408
C 1.000415 1.190622 0.105005
C 2.363155 -0.619791 1.306885
C 2.971455 0.058542 -1.044179
C 1.023232 0.162705 1.286011
C 2.659839 -1.167783 -0.127941
C 3.358075 1.632177 0.868816
C 3.481378 0.358045 1.736845
C -0.007124 0.739252 -0.993837
C 2.673041 2.544606 -1.332101
C 3.796030 -2.172174 -0.177789
C -1.431014 0.804781 -0.432114
C 3.667697 -3.451677 -0.603346
C -2.229872 -0.371593 -0.179415
C -1.992721 2.066305 -0.188400
C -3.575662 -0.157255 0.336130
C -1.802301 -1.723964 -0.403518
C -3.326061 2.170231 0.314992
C -4.420068 -1.279804 0.611470
C -2.651541 -2.799455 -0.129992
C -3.967952 -2.580090 0.385037
H 0.709712 2.200122 0.446103
H 2.293548 -1.462722 2.013315
H 4.058150 0.181314 -1.196485
H 2.491633 -0.012578 -2.033201
H 0.177398 -0.536913 1.184397
H 0.882469 0.687553 2.247036
H 1.746178 -1.675870 -0.491859
H 2.871257 2.464662 1.404358
H 4.333636 1.984626 0.494900
H 4.478189 -0.100910 1.628910
H 3.364054 0.626092 2.800416
H 0.230347 -0.295481 -1.304501
H 3.725527 2.556260 -1.657418
H 1.988265 2.434567 -2.180822
H 2.442920 3.473712 -0.786757
H 4.781824 -1.817665 0.160883
H -0.675532 1.556642 -2.726772
H 4.518862 -4.140174 -0.609027
H 2.709884 -3.854588 -0.956458
H -1.427837 2.980780 -0.399429
H -0.806709 -1.934780 -0.810527
H -3.767916 3.154408 0.506575
H -5.421606 -1.069850 0.997545
H -2.310778 -3.823472 -0.315954
H -4.618054 -3.435386 0.593848


