%chk=000077295.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077295

0 1
 O    1.748500       1.592200      -1.981400    
 O   -2.761400       1.847300       1.056800    
 O   -2.017500      -2.283100      -1.249800    
 O   -3.695900     -0.6082000      0.1801000    
 N    2.574700      0.6308000     -1.6700000E-02
 C    4.537000      -1.063300       1.253700    
 C    4.858100     -0.2886000     -2.4800001E-02
 C    3.039500      -1.352200       1.361100    
 C    3.999400      0.9683000     -0.1367000    
 C    2.215900     -7.5300001E-02   1.213500    
 C    1.578800      0.9658000     -0.9366000    
 C   0.2005000      0.5544000     -0.6443000    
 C  -0.2627000     -0.6815000      -1.088600    
 C  -0.6378000       1.401900      7.5800002E-02
 C   -1.947900       1.011000      0.3534000    
 C   -1.572600      -1.072400     -0.8112000    
 C   -2.415200     -0.2262000     -9.0000004E-02
 C   -3.536200       2.780400      0.3065000    
 C   -1.839500      -3.394800     -0.3743000    
 C   -4.065600     -0.7065000       1.553600    
 H    5.099100      -2.003500       1.270000    
 H    4.859600     -0.4796000       2.124600    
 H    4.671900     -0.9352000     -0.8914000    
 H    5.919600     -1.8800000E-02 -4.2100001E-02
 H    2.822500      -1.827300       2.324200    
 H    2.753000      -2.062900      0.5758000    
 H    4.240700       1.680200      0.6607000    
 H    4.174600       1.464700      -1.096500    
 H    1.161800     -0.3362000       1.302400    
 H    2.435000      0.6065000       2.045100    
 H   0.3920000      -1.343100      -1.650700    
 H  -0.2759000       2.366600      0.4233000    
 H   -2.883300       3.463900     -0.2454000    
 H   -4.141900       3.363000       1.005800    
 H   -4.205100       2.258800     -0.3853000    
 H  -0.7758000      -3.559300     -0.1753000    
 H   -2.245400      -4.284500     -0.8636000    
 H   -2.377200      -3.236800      0.5657000    
 H   -3.206600     -0.9170000       2.200300    
 H   -4.776100      -1.532500       1.652200    
 H   -4.567600      0.2108000       1.873500    


%chk=000077295-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077295

0 1
O 1.799555 2.282863 -0.980326
O -3.106016 2.096120 0.620995
O -1.494064 -2.560415 0.062754
O -3.687770 -0.730280 0.553479
N 2.776038 0.620557 0.328891
C 5.035072 -1.192698 0.720550
C 5.007963 -0.155182 -0.428844
C 3.597986 -1.584605 1.143969
C 4.134705 1.065223 -0.059843
C 2.762744 -0.324592 1.468256
C 1.670393 1.257119 -0.231827
C 0.293245 0.692203 0.027445
C 0.004552 -0.690272 -0.067094
C -0.765106 1.612326 0.219912
C -2.084070 1.148971 0.373274
C -1.318112 -1.165286 0.086658
C -2.374203 -0.247050 0.348683
C -4.137266 2.181718 -0.440303
C -2.550095 -3.096041 -0.825929
C -4.210667 -0.493909 1.923690
H 5.605980 -2.090598 0.418150
H 5.563186 -0.755139 1.593519
H 4.599807 -0.622470 -1.346156
H 6.033365 0.189858 -0.662593
H 3.621031 -2.246308 2.030966
H 3.106447 -2.146219 0.325089
H 4.595100 1.614422 0.789638
H 4.027568 1.769984 -0.899501
H 1.726516 -0.583755 1.729149
H 3.210338 0.187824 2.348653
H 0.785790 -1.425677 -0.281553
H -0.567306 2.687459 0.223555
H -3.677058 2.522032 -1.386931
H -4.860430 2.931222 -0.084529
H -4.632502 1.205215 -0.589143
H -3.538261 -2.695506 -0.547829
H -2.514513 -4.186834 -0.683278
H -2.319979 -2.847657 -1.880018
H -3.595444 -1.041758 2.660872
H -5.237152 -0.891133 1.917469
H -4.212368 0.586068 2.153478


