%chk=000050922.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050922

0 1
 O    5.552100      -1.009400      0.1862000    
 O    2.987300      -1.317800      0.5366000    
 N   -3.114400       1.080600      0.1989000    
 N   -4.025500      -1.140900     -0.4428000    
 N    2.460200      0.8496000     -0.2235000    
 C   -1.709400       1.022800      9.3400002E-02
 C    1.070300      0.9076000     -0.1168000    
 C   -4.038600      3.9700001E-02  0.3380000    
 C  -0.9992000       2.126600     -0.3789000    
 C   -1.029400     -0.1387000      0.4606000    
 C   0.3905000       2.068800     -0.4841000    
 C   0.3603000     -0.1962000      0.3556000    
 C   -3.319300      -1.245300      -1.719500    
 C   -4.571700      -2.405900      4.9100000E-02
 C    3.308900     -0.2192000      9.3999997E-02
 C    4.763600      0.1098000     -0.1618000    
 C   -5.025200      0.2368000       1.245300    
 C    6.939300     -0.7689000     -3.0200001E-02
 H   -3.464600       2.003100      0.4438000    
 H   -1.518000       3.036600     -0.6694000    
 H   -1.550200      -1.008100      0.8521000    
 H   0.9309000       2.936400     -0.8545000    
 H   0.8162000      -1.127000      0.6626000    
 H    2.904500       1.694100     -0.5779000    
 H   -2.346200      -1.727300      -1.585300    
 H   -3.170800     -0.2649000      -2.183900    
 H   -3.902400      -1.844800      -2.427800    
 H   -4.162500      -3.261900     -0.4995000    
 H   -5.659700      -2.420900     -7.1500003E-02
 H   -4.325900      -2.556500       1.106200    
 H    4.890400      0.3473000      -1.224000    
 H    5.043100      0.9750000      0.4497000    
 H   -5.815700     -0.4865000       1.413500    
 H   -5.069200       1.142200       1.844200    
 H    7.492600      -1.667200      0.2563000    
 H    7.282600      6.6699997E-02  0.5872000    
 H    7.130400     -0.5612000      -1.087400    


%chk=000050922-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050922

0 1
O 5.202281 0.685021 -0.425739
O 2.993186 -1.478224 1.497291
N -2.961534 0.880938 -0.609378
N -3.956469 -1.224136 -0.033856
N 2.675926 0.279615 -0.056263
C -1.569708 0.681305 -0.436073
C 1.259465 0.379724 -0.152523
C -4.032117 0.181416 0.020833
C -0.670360 1.504807 -1.171915
C -1.023227 -0.294873 0.441933
C 0.719832 1.359898 -1.026910
C 0.369708 -0.448354 0.581357
C -3.472654 -1.913759 -1.243227
C -4.862257 -2.007820 0.811020
C 3.430205 -0.583110 0.708846
C 4.945069 -0.384876 0.541212
C -5.053286 0.881250 0.621278
C 6.625606 0.947199 -0.633490
H -3.234306 1.770101 -1.028767
H -1.065804 2.263149 -1.859419
H -1.698213 -0.933095 1.017962
H 1.392034 2.010419 -1.600857
H 0.781259 -1.198800 1.259641
H 3.242315 0.924347 -0.624112
H -2.857804 -2.790270 -0.965370
H -2.852137 -1.232577 -1.843162
H -4.317812 -2.264973 -1.875427
H -4.468152 -3.035386 0.911266
H -5.893454 -2.074766 0.395439
H -4.925009 -1.550759 1.813643
H 5.376182 -0.136981 1.534188
H 5.386434 -1.344990 0.200326
H -5.978273 0.396123 0.938110
H -4.949397 1.950889 0.818416
H 6.686487 1.756744 -1.377019
H 7.146194 0.047992 -1.022556
H 7.115090 1.271913 0.307801


