%chk=000162344.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162344

1 1
 O    6.165000      -2.138900     -3.0000000E-03
 N    1.329400      0.4656000      0.4772000    
 N   -2.502200     -0.9375000      1.8200001E-02
 C    3.138400       1.810100     -0.4295000    
 C    1.706400       1.898000      0.2041000    
 C    3.551700      0.4008000     -6.6500001E-02
 C    2.472800     -0.3446000      0.4095000    
 C    3.038100       1.927000      -1.963100    
 C    4.130100       2.859300      8.8100001E-02
 C   -3.537300       1.177800      0.4801000    
 C   0.6134000       2.515400     -0.6713000    
 C   -2.215600      0.3597000      0.4484000    
 C   0.1534000      1.1200000E-02  0.7239000    
 C    4.800000     -0.1926000     -0.2119000    
 C   -4.543300      0.1351000      1.3900000E-02
 C    2.601800      -1.684600      0.7471000    
 C   -1.031600      0.8741000      0.7908000    
 C   -3.870200      -1.076000     -0.2370000    
 C   -3.877400       1.652900       1.899500    
 C   -3.498300       2.359100     -0.4990000    
 C    4.950000      -1.537800      0.1320000    
 C    3.858300      -2.278200      0.6065000    
 C   -5.913200      0.2550000     -0.1659000    
 C   -1.600500      -2.055000     -0.1624000    
 C   -4.576300      -2.185900     -0.6744000    
 C   -6.620800     -0.8633000     -0.6065000    
 C   -5.957900      -2.073600     -0.8584000    
 C    7.236100      -1.333100     -0.4905000    
 H    1.750000       2.397900       1.180500    
 H    4.001400       1.684300      -2.430300    
 H    2.308100       1.230400      -2.391500    
 H    2.792600       2.942900      -2.288700    
 H    4.280500       2.760500       1.169400    
 H    5.111100       2.768700     -0.3913000    
 H    3.757100       3.871300     -0.1045000    
 H   0.1802000       1.836500      -1.414100    
 H  -0.1725000       3.008300     -9.6900001E-02
 H    1.023300       3.369600      -1.223400    
 H   6.4000003E-02  -1.025100       1.049800    
 H    5.601900      0.4215000     -0.6031000    
 H    1.778700      -2.282600       1.121100    
 H  -0.9651000       1.862500       1.222400    
 H   -4.860700       2.136500       1.933400    
 H   -3.900900      0.8176000       2.610000    
 H   -3.144100       2.380000       2.265900    
 H   -4.469200       2.865300     -0.5530000    
 H   -2.757400       3.106600     -0.1943000    
 H   -3.243600       2.033400      -1.514800    
 H    3.985900      -3.325800      0.8685000    
 H   -6.428200       1.189400      2.8600000E-02
 H  -0.7168000      -1.777300     -0.7454000    
 H   -2.039800      -2.865600     -0.7521000    
 H   -1.327300      -2.500700      0.7996000    
 H   -4.104100      -3.140800     -0.8731000    
 H   -7.695100     -0.7982000     -0.7557000    
 H   -6.526800      -2.934600      -1.199200    
 H    7.048000     -0.9894000      -1.513400    
 H    8.127400      -1.968100     -0.5266000    
 H    7.461400     -0.5059000      0.1913000    


%chk=000162344-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162344

1 1
O 6.422531 -2.024969 -0.497829
N 1.349761 0.340252 -0.302052
N -2.914244 -1.145023 0.180977
C 3.163907 1.900340 0.083312
C 1.673248 1.814441 -0.440274
C 3.667659 0.479996 -0.201820
C 2.574033 -0.400897 -0.356928
C 4.000765 3.007300 -0.592320
C 3.148219 2.127111 1.626372
C -3.591431 1.135585 0.043560
C 1.458065 2.248011 -1.905121
C -2.417094 0.127714 0.016259
C 0.110405 -0.187001 -0.177688
C 4.983600 -0.007214 -0.238843
C -4.789932 0.215259 0.258767
C 2.755402 -1.788405 -0.548919
C -1.085949 0.560827 -0.155319
C -4.346623 -1.125049 0.334996
C -3.431601 2.144355 1.220327
C -3.697366 1.897030 -1.312339
C 5.181862 -1.403290 -0.431879
C 4.069584 -2.282399 -0.581635
C -6.156255 0.508899 0.379579
C -2.132302 -2.387516 0.197033
C -5.228734 -2.202394 0.531554
C -7.067804 -0.559575 0.577779
C -6.606496 -1.895781 0.652393
C 7.631298 -1.196628 -0.364772
H 1.004665 2.383049 0.231355
H 5.017493 3.025366 -0.160699
H 4.099735 2.857215 -1.680374
H 3.557114 4.003505 -0.414173
H 2.515314 1.380196 2.139437
H 4.168278 2.045053 2.040236
H 2.763674 3.135978 1.864139
H 2.127731 1.693807 -2.585244
H 0.417846 2.064019 -2.226244
H 1.663091 3.325332 -2.019028
H 0.098630 -1.273748 -0.075941
H 5.830599 0.674454 -0.120986
H 1.918212 -2.478552 -0.694902
H -0.995738 1.645169 -0.273816
H -4.313689 2.806672 1.260974
H -3.347416 1.623895 2.189610
H -2.537963 2.778909 1.082819
H -4.580889 2.558603 -1.296070
H -2.806836 2.527272 -1.487024
H -3.806511 1.199094 -2.160011
H 4.272395 -3.345375 -0.738065
H -6.521332 1.540039 0.323546
H -1.584176 -2.514709 -0.753915
H -2.808065 -3.245126 0.315181
H -1.420683 -2.393795 1.042734
H -4.894264 -3.242234 0.594344
H -8.137760 -0.351363 0.674607
H -7.323335 -2.708455 0.806657
H 7.685366 -0.442444 -1.172228
H 8.468564 -1.901673 -0.457195
H 7.665740 -0.702031 0.624105


