%chk=000178391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178391

0 1
 O    3.855300       2.064300     -6.2100001E-02
 O   -3.564100      0.6902000     -0.8090000    
 N    2.773000     -0.5579000      0.2002000    
 C   -3.736900       2.875600      0.1239000    
 C   -3.922500       3.164600       1.581400    
 C   -3.166900       4.128200      0.7139000    
 C   -2.810500       1.782100     -0.2841000    
 C    2.490300      -1.795300      0.9256000    
 C   0.9798000      -2.102200      0.9809000    
 C    4.222100     -0.3390000      8.9699998E-02
 C    2.153000      0.5923000      0.8721000    
 C    4.494900      0.9498000     -0.6929000    
 C    2.443900       1.891400      0.1112000    
 C   0.3708000      -2.183700     -0.4372000    
 C   0.7049000      -3.420000       1.718400    
 C   -1.127100      -1.999400     -0.4758000    
 C    5.988400       1.248700     -0.7442000    
 C    1.699100       1.997300      -1.219000    
 C   -3.034800     -0.5551000     -0.6622000    
 C   -1.650900     -0.7252000     -0.6261000    
 C   -1.950600      -3.107800     -0.3606000    
 C   -3.876700      -1.661300     -0.5474000    
 C   -3.334500      -2.937600     -0.3967000    
 H   -4.580400       2.993400     -0.5452000    
 H   -4.911600       3.455100       1.914500    
 H   -3.358600       2.594800       2.309500    
 H   -2.094800       4.196400      0.8525000    
 H   -3.647200       5.067200      0.4676000    
 H   -2.148600       2.152400      -1.075700    
 H   -2.199800       1.482700      0.5776000    
 H    2.893000      -1.753400       1.946600    
 H    2.991300      -2.632100      0.4213000    
 H   0.4673000      -1.329500       1.565000    
 H    4.671400     -0.2732000       1.090000    
 H    4.690900      -1.181200     -0.4335000    
 H    2.542900      0.6827000       1.895000    
 H    1.065400      0.5031000      0.9370000    
 H    4.131600      0.8592000      -1.723400    
 H    2.115200       2.731100      0.7352000    
 H   0.8036000      -1.423400      -1.099000    
 H   0.6362000      -3.138800     -0.9111000    
 H    1.089300      -4.280400       1.160400    
 H    1.193700      -3.415000       2.699000    
 H  -0.3633000      -3.570700       1.896900    
 H    6.394000       1.399500      0.2623000    
 H    6.172400       2.175400      -1.298700    
 H    6.540400      0.4372000      -1.228100    
 H    1.902600       1.149000      -1.879600    
 H   0.6183000       2.042300      -1.054500    
 H    2.007100       2.900700      -1.756000    
 H  -0.9693000      0.1115000     -0.7410000    
 H   -1.540500      -4.107500     -0.2511000    
 H   -4.955500      -1.535000     -0.5750000    
 H   -3.990100      -3.799100     -0.3090000    


%chk=000178391-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178391

0 1
O 4.089660 2.051851 0.014628
O -3.680450 0.584391 -0.368524
N 2.855038 -0.525713 0.424446
C -3.760441 2.991353 -0.283262
C -4.402455 3.453586 1.030577
C -3.285102 4.291146 0.389587
C -2.839047 1.796879 -0.292392
C 2.552407 -1.863945 0.988786
C 1.031807 -2.164076 1.043322
C 4.202385 -0.419039 -0.188409
C 2.665235 0.573926 1.401827
C 4.345825 0.930417 -0.921259
C 2.780857 1.947957 0.705508
C 0.458111 -2.280528 -0.402831
C 0.754030 -3.431409 1.880393
C -1.053210 -2.128528 -0.475587
C 5.750803 1.164761 -1.477536
C 1.600659 2.252284 -0.237953
C -3.027296 -0.658862 -0.437165
C -1.623260 -0.828976 -0.394832
C -1.910160 -3.248035 -0.601178
C -3.881007 -1.785012 -0.559000
C -3.315368 -3.070876 -0.641025
H -4.365536 3.095486 -1.189848
H -5.425613 3.836860 0.994749
H -4.166870 2.885769 1.935805
H -2.302621 4.291983 0.873357
H -3.549780 5.240398 -0.083748
H -2.159282 1.823774 -1.170191
H -2.222258 1.766799 0.631816
H 2.990351 -1.984431 2.012102
H 3.038259 -2.623460 0.343668
H 0.524001 -1.309151 1.535478
H 5.016435 -0.496961 0.578133
H 4.332643 -1.243574 -0.914262
H 3.430393 0.518921 2.217762
H 1.667587 0.485213 1.868676
H 3.595632 0.962919 -1.740395
H 2.847077 2.735679 1.478852
H 0.945432 -1.489256 -1.005113
H 0.763549 -3.259808 -0.822892
H 1.288407 -4.306205 1.460313
H 1.085141 -3.304004 2.928170
H -0.325045 -3.666864 1.889205
H 6.496805 1.146900 -0.663196
H 5.803511 2.151243 -1.968764
H 6.014056 0.388437 -2.219058
H 1.419951 1.416839 -0.936148
H 0.677271 2.416377 0.350811
H 1.806805 3.169887 -0.815804
H -0.952030 0.032656 -0.311180
H -1.479918 -4.253738 -0.673846
H -4.963157 -1.626153 -0.592368
H -3.973318 -3.941688 -0.740703


