%chk=000146930.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146930

0 1
 O   -6.806700     -0.2468000      0.1022000    
 N    1.528100       1.048500     -0.2090000    
 N  -0.5073000     -0.1859000      0.7074000    
 N   0.6293000       2.444900       1.362200    
 N    2.363100       3.224300     -2.3300000E-02
 C   0.9529000     -0.1253000      0.4916000    
 C    1.640300     -0.3427000       1.872900    
 C    3.168500     -0.4884000       1.826800    
 C    3.620800      -1.867700       1.342500    
 C    5.105000      -1.947700      0.9754000    
 C    1.903400      0.8879000      -1.622900    
 C    5.631000     -0.9885000     -0.1025000    
 C    3.406800      0.6256000      -1.772900    
 C    5.164400      -1.245300      -1.542000    
 C    3.723000     -0.8686000      -1.889400    
 C   -1.208400      2.0099999E-02 -0.5449000    
 C    1.546600       2.283300      0.3573000    
 C   -2.698200     -5.0900001E-02 -0.3728000    
 C   -3.412100       1.104900     -8.0600001E-02
 C   -3.348000      -1.272100     -0.5076000    
 C   -4.796200       1.038800      7.9400003E-02
 C   -4.732100      -1.338300     -0.3477000    
 C   -5.456300     -0.1828000     -5.4200001E-02
 C   -7.417900      -1.527300     -4.7800001E-02
 H    1.194100      -1.014500     -0.1023000    
 H    1.226800      -1.246900       2.341500    
 H    1.404100      0.4700000       2.567800    
 H    3.560200     -0.3446000       2.842100    
 H    3.596200      0.3161000       1.227500    
 H    3.010600      -2.227000      0.5144000    
 H    3.436300      -2.587200       2.151900    
 H    5.331600      -2.977600      0.6721000    
 H    5.686200      -1.769100       1.889700    
 H    1.646700       1.806800      -2.165700    
 H    1.317100      9.4999999E-02  -2.101900    
 H    5.467100      5.2400000E-02  0.1871000    
 H    6.723700      -1.106800     -0.1081000    
 H    3.959600       1.095900     -0.9561000    
 H    3.756500       1.108800      -2.694300    
 H    5.829200     -0.6893000      -2.215800    
 H    5.314200      -2.306500      -1.776700    
 H    3.538500      -1.168800      -2.929800    
 H    3.027300      -1.465000      -1.304800    
 H  -0.7510000      -1.095300       1.100100    
 H  -0.9034000     -0.7281000      -1.288600    
 H  -0.9693000      0.9985000     -0.9800000    
 H   0.5691000       3.323000       1.867100    
 H  -0.1157000       1.780800       1.537200    
 H    2.189900       4.059000      0.5475000    
 H   -2.908400       2.061500      2.8000001E-02
 H   -2.792700      -2.178300     -0.7341000    
 H   -5.354800       1.942100      0.3086000    
 H   -5.180800      -2.318900     -0.4643000    
 H   -7.069100      -2.231500      0.7152000    
 H   -7.289500      -1.918000      -1.063000    
 H   -8.493200      -1.392700      0.1091000    


%chk=000146930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146930

0 1
O -6.908476 0.104109 0.378658
N 1.422790 0.929261 -0.324917
N -0.477665 -0.340860 0.548346
N 0.273705 2.248281 1.261736
N 1.991960 3.212972 -0.180077
C 1.011131 -0.316096 0.356687
C 1.662441 -0.552531 1.754500
C 3.208640 -0.550535 1.759211
C 3.854000 -1.897526 1.353117
C 5.382997 -1.816461 1.089843
C 2.030011 0.887005 -1.680472
C 5.877629 -0.790236 0.031440
C 3.572582 0.701790 -1.740225
C 5.489115 -1.059902 -1.448022
C 4.014471 -0.779897 -1.842575
C -1.271106 -0.430393 -0.709223
C 1.256481 2.205681 0.265558
C -2.761683 -0.326664 -0.434440
C -3.320474 0.882426 0.065324
C -3.629346 -1.417494 -0.665976
C -4.696467 0.993448 0.324899
C -5.019165 -1.327243 -0.410891
C -5.551957 -0.114230 0.087714
C -7.836818 -1.002204 0.137229
H 1.327635 -1.132799 -0.330882
H 1.291031 -1.525338 2.142653
H 1.288152 0.233053 2.435114
H 3.565490 -0.282534 2.773869
H 3.550712 0.260971 1.092890
H 3.342975 -2.311941 0.463731
H 3.679576 -2.634897 2.164804
H 5.746388 -2.825316 0.802266
H 5.883143 -1.572190 2.051022
H 1.775218 1.848664 -2.156659
H 1.535723 0.071755 -2.249424
H 5.561750 0.231191 0.320840
H 6.985645 -0.780600 0.087650
H 4.002027 1.204215 -0.856330
H 3.961731 1.257981 -2.616761
H 6.142627 -0.437419 -2.094788
H 5.732108 -2.116148 -1.690586
H 3.859665 -1.119884 -2.888153
H 3.345619 -1.407436 -1.227666
H -0.757990 -1.066136 1.224547
H -1.056269 -1.371673 -1.268597
H -0.936343 0.407795 -1.349665
H 0.176867 3.081301 1.835286
H -0.378351 1.444995 1.319318
H 1.696002 4.123029 0.220392
H -2.663385 1.742016 0.243383
H -3.220272 -2.357958 -1.056387
H -5.136052 1.921731 0.702643
H -5.661373 -2.191845 -0.603659
H -7.586925 -1.882463 0.761559
H -7.844857 -1.296107 -0.930699
H -8.825965 -0.614915 0.422343


