%chk=000158826.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158826

0 1
 O   -5.088400      0.7602000      0.3520000    
 O   -3.995000       2.159600      -1.275100    
 O    4.634400      0.8596000     -0.5694000    
 O    3.296900       2.434500       1.287700    
 N   0.5857000      -3.069100     -0.1315000    
 C   -1.191200      -2.797400       1.585900    
 C  -0.8746000      -1.321400       1.886400    
 C  -0.8452000      -3.241400      0.1564000    
 C   -1.625100     -0.3423000       1.003300    
 C   0.8392000      -2.774200      -1.549500    
 C   0.4808000      -1.323300      -1.928900    
 C  -0.9734000      0.4926000      4.6399999E-02
 C    1.176300     -0.2877000      -1.064600    
 C   0.4903000      0.5229000     -0.1297000    
 C   -3.027200     -0.2774000       1.145500    
 C   -1.748500       1.361500     -0.7530000    
 C   -3.739000      0.5859000      0.3404000    
 C    2.572200     -0.1510000      -1.195000    
 C    1.233000       1.435300      0.6475000    
 C   -3.117000       1.381900     -0.5854000    
 C    1.349400      -4.243800      0.2945000    
 C    3.285100      0.7575000     -0.4152000    
 C    2.615800       1.549100      0.5087000    
 C   -5.244500       1.758400     -0.6770000    
 C    5.446000      1.5300000E-02  0.2449000    
 C    3.464100       3.754900      0.7748000    
 H  -0.6561000      -3.422300       2.311100    
 H   -2.257900      -2.990100       1.755100    
 H   0.2068000      -1.160500       1.839600    
 H   -1.147300      -1.108700       2.928800    
 H   -1.153000      -4.284900      8.2000000E-03
 H   -1.467000      -2.660400     -0.5336000    
 H   0.2975000      -3.473700      -2.199300    
 H    1.905700      -2.917700      -1.767800    
 H  -0.6044000      -1.184900      -1.923000    
 H   0.7783000      -1.149300      -2.971800    
 H   -3.543900     -0.8958000       1.873200    
 H   -1.280800       2.010700      -1.488200    
 H    3.109300     -0.7645000      -1.916100    
 H   0.7225000       2.068600       1.372100    
 H    1.199000      -4.449200       1.359400    
 H    2.423700      -4.070300      0.1649000    
 H    1.075000      -5.140500     -0.2729000    
 H   -5.724000       2.641600     -0.2397000    
 H   -5.895900       1.355800      -1.461100    
 H    5.234400      -1.038000      3.5100002E-02
 H    5.280100      0.2279000       1.305700    
 H    6.494400      0.2156000      7.7999998E-03
 H    2.491300       4.232700      0.6219000    
 H    4.025300       3.735100     -0.1648000    
 H    4.029000       4.337800       1.507300    


%chk=000158826-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158826

0 1
O -5.213229 0.778699 0.402040
O -4.134669 2.201041 -1.211385
O 4.682087 0.841020 -0.652369
O 3.278683 2.478989 1.337539
N 0.513221 -3.176191 -0.212949
C -1.260677 -2.890350 1.553827
C -0.888361 -1.410866 1.852514
C -0.928984 -3.307436 0.102000
C -1.669517 -0.410078 1.006762
C 0.809878 -2.806784 -1.613602
C 0.430103 -1.339546 -1.960780
C -1.031042 0.441285 0.055166
C 1.147524 -0.313927 -1.093031
C 0.466015 0.478466 -0.122079
C -3.088519 -0.346022 1.177407
C -1.800141 1.353076 -0.736849
C -3.812179 0.548725 0.393172
C 2.550405 -0.163888 -1.229174
C 1.207896 1.400956 0.660717
C -3.180382 1.381962 -0.550782
C 1.310292 -4.320075 0.266088
C 3.285930 0.735958 -0.435542
C 2.600016 1.548270 0.510748
C -5.449481 1.831085 -0.622878
C 5.513763 0.479500 0.518756
C 3.890331 3.609656 0.601784
H -0.722106 -3.543217 2.268910
H -2.342713 -3.058984 1.727736
H 0.193119 -1.290341 1.674299
H -1.074536 -1.212639 2.927263
H -1.289877 -4.351859 -0.075553
H -1.500221 -2.656549 -0.583783
H 0.306168 -3.485993 -2.350167
H 1.899343 -2.932705 -1.764144
H -0.662750 -1.204436 -1.883340
H 0.690562 -1.184587 -3.027300
H -3.591050 -0.980887 1.913272
H -1.310015 2.009451 -1.460527
H 3.104341 -0.761721 -1.962420
H 0.700218 2.032946 1.396755
H 1.121702 -4.488402 1.341123
H 2.387217 -4.104977 0.145030
H 1.083315 -5.276803 -0.271347
H -5.886045 2.718356 -0.132124
H -6.096071 1.419296 -1.417528
H 5.367997 -0.587933 0.772773
H 5.262478 1.108151 1.391960
H 6.554495 0.651055 0.203609
H 3.103699 4.213578 0.110267
H 4.609800 3.246609 -0.154833
H 4.404066 4.214265 1.364968


