%chk=000059188.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059188

0 1
 O  -0.1641000      -2.389600     -0.7125000    
 O  -2.6500000E-02  -2.096100       1.579700    
 N   0.9340000      0.8247000     -0.1300000    
 N   -3.264600      0.5589000     -0.4168000    
 C    1.780300      0.6813000       1.067500    
 C    3.033500     -0.1428000      0.7396000    
 C    1.587500       1.297500      -1.355000    
 C    3.762600      0.3533000     -0.5060000    
 C    2.801000      0.4352000      -1.685900    
 C  -0.4215000      0.6542000     -6.8899997E-02
 C   -1.224800       1.917400     -0.3194000    
 C   -1.083100     -0.4920000      0.1910000    
 C   -2.701200       1.815000      8.2800001E-02
 C    2.115000       2.052900       1.655400    
 C   -2.589000     -0.5871000      0.2120000    
 C   -4.706500      0.5005000     -0.1846000    
 C  -0.3626000      -1.746000      0.4632000    
 C   0.5298000      -3.637400     -0.6120000    
 H    1.235900      0.1422000       1.852200    
 H    2.736100      -1.186000      0.5722000    
 H    3.720400     -0.1475000       1.593900    
 H    1.883500       2.346300      -1.236500    
 H   0.8973000       1.257400      -2.206900    
 H    4.586900     -0.3274000     -0.7470000    
 H    4.206700       1.337400     -0.3175000    
 H    3.319300      0.8434000      -2.560600    
 H    2.468500     -0.5765000      -1.951100    
 H  -0.7796000       2.757600      0.2280000    
 H   -1.167500       2.164100      -1.387700    
 H   -2.800200       1.884900       1.174700    
 H   -3.233400       2.673000     -0.3460000    
 H    2.678500       2.679400      0.9574000    
 H    1.200400       2.595600       1.917500    
 H    2.713000       1.945900       2.566500    
 H   -2.893700      -1.497000     -0.3203000    
 H   -2.905800     -0.6985000       1.258100    
 H   -5.212500       1.321200     -0.7051000    
 H   -4.958200      0.5610000      0.8804000    
 H   -5.122900     -0.4302000     -0.5857000    
 H   0.6235000      -4.056000      -1.617600    
 H  -3.7200000E-02  -4.337700      8.8000000E-03
 H    1.532300      -3.481100     -0.2022000    


%chk=000059188-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059188

0 1
O 0.582007 -2.203283 -0.057749
O -1.399249 -2.808453 1.002341
N 0.922137 0.702119 -0.303142
N -3.365783 0.625661 -0.311883
C 1.784836 0.252158 0.836366
C 3.115923 -0.345229 0.317013
C 1.589651 1.615411 -1.265299
C 3.846258 0.598861 -0.664872
C 2.891095 0.985467 -1.813684
C -0.466051 0.558268 -0.298409
C -1.253253 1.741566 -0.878058
C -1.184012 -0.534434 0.205997
C -2.637916 1.900658 -0.224648
C 1.997323 1.421752 1.836210
C -2.689516 -0.421342 0.480362
C -4.792383 0.741172 0.037259
C -0.705227 -1.895161 0.460567
C 0.949915 -3.631386 0.048302
H 1.241036 -0.544273 1.361315
H 2.875114 -1.290698 -0.201440
H 3.763491 -0.586154 1.181853
H 1.833017 2.590806 -0.787335
H 0.905192 1.819707 -2.103084
H 4.750066 0.102759 -1.065788
H 4.191923 1.513799 -0.142097
H 3.372276 1.706221 -2.502966
H 2.631200 0.081805 -2.398315
H -0.684431 2.679863 -0.743095
H -1.407414 1.589129 -1.964231
H -2.514570 2.245995 0.836924
H -3.210318 2.681369 -0.760255
H 2.560768 2.264223 1.396478
H 1.023663 1.804306 2.191860
H 2.565001 1.062321 2.714284
H -3.163878 -1.393194 0.263142
H -2.837299 -0.248179 1.581568
H -5.278492 1.483637 -0.621094
H -4.966544 1.049662 1.100361
H -5.290642 -0.232732 -0.116343
H 1.965705 -3.691490 -0.371690
H 0.247024 -4.254840 -0.530619
H 0.933455 -3.966448 1.099493


