%chk=000058803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058803

0 1
 O  -0.4436000     -0.7308000     -0.2132000    
 O  -8.6000003E-02  -1.454200       1.940400    
 O    2.471000      -1.237500       1.776100    
 N   -3.642900      0.7041000     -0.9096000    
 C   -2.214100      0.1379000       1.187400    
 C   -1.850200     -0.7803000      4.3000001E-03
 C   -2.599300     -0.2979000      -1.260400    
 C   -2.019200       1.604300      0.7605000    
 C   -3.708900     -6.7299999E-02   1.470100    
 C   -2.952300       1.922000     -0.4206000    
 C   -4.507500      0.2043000      0.1847000    
 C   -3.182400      -1.474200      -2.049300    
 C   0.3415000      -1.097100      0.8477000    
 C    1.835800     -0.9582000      0.5136000    
 C    2.177500      0.4784000      0.1062000    
 C    2.326900      -2.027700     -0.4677000    
 C    3.817700      -2.082600     -0.7126000    
 C    2.276600      0.7756000      -1.232800    
 C    2.371300       1.413700       1.095500    
 C    1.528100      -2.894900      -1.114800    
 C    2.587600       2.083700      -1.604100    
 C    2.682100       2.721900      0.7242000    
 C    2.790300       3.056800     -0.6257000    
 H   -1.667100     -2.1000000E-02   2.114900    
 H   -2.125100      -1.817400      0.2400000    
 H   -1.886000      0.1820000      -1.945800    
 H  -0.9761000       1.786700      0.4781000    
 H   -2.247700       2.273700       1.598600    
 H   -4.038600      0.6119000       2.265600    
 H   -3.893900      -1.090500       1.817700    
 H   -3.692700       2.676300     -0.1253000    
 H   -2.379300       2.379900      -1.236600    
 H   -5.040300     -0.7007000     -0.1277000    
 H   -5.296900      0.9386000      0.3908000    
 H   -3.726000      -1.119800      -2.931800    
 H   -2.377600      -2.131200      -2.397400    
 H   -3.866500      -2.082400      -1.449400    
 H    2.331400      -2.176700       1.988700    
 H    4.197200      -1.155500      -1.148900    
 H    4.091000      -2.893500      -1.397300    
 H    4.350900      -2.264300      0.2263000    
 H    2.097600      4.9800001E-02  -2.018600    
 H    2.277100       1.179300       2.150800    
 H   0.4538000      -2.928300     -0.9878000    
 H    1.942200      -3.626200      -1.802700    
 H    2.665100       2.346400      -2.655100    
 H    2.835800       3.480900       1.485800    
 H    3.029700       4.075900     -0.9147000    


%chk=000058803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058803

0 1
O -0.412968 -0.701928 -0.101392
O 0.054031 -1.875564 1.854185
O 2.675700 -1.515643 1.681386
N -3.642258 0.526480 -1.084372
C -2.293319 0.399558 1.139926
C -1.895938 -0.750953 0.188686
C -2.630806 -0.578116 -1.182193
C -2.053956 1.770931 0.455388
C -3.810763 0.224117 1.430597
C -2.918818 1.820409 -0.857323
C -4.581645 0.298820 0.059688
C -3.241487 -1.890198 -1.701051
C 0.431345 -1.267130 0.817714
C 1.941293 -1.090901 0.479620
C 2.249830 0.399966 0.220919
C 2.390798 -1.993097 -0.695154
C 3.891558 -2.003266 -0.911568
C 1.966926 0.984154 -1.038661
C 2.799551 1.198202 1.251079
C 1.538795 -2.742553 -1.440752
C 2.225200 2.354118 -1.261686
C 3.056144 2.570390 1.026572
C 2.768654 3.154155 -0.228227
H -1.715621 0.322748 2.077232
H -2.100866 -1.726478 0.669115
H -1.873942 -0.233668 -1.913344
H -0.980173 1.899278 0.230599
H -2.343753 2.577863 1.153768
H -4.139275 1.024168 2.119787
H -3.993630 -0.740657 1.941638
H -3.677955 2.621852 -0.807870
H -2.286232 2.016221 -1.741656
H -5.150304 -0.627527 -0.130313
H -5.308560 1.130139 0.057842
H -3.732858 -1.721085 -2.674009
H -2.450702 -2.651800 -1.832783
H -3.992018 -2.305649 -1.003889
H 2.043777 -2.073022 2.218414
H 4.251766 -1.006888 -1.230648
H 4.177875 -2.741755 -1.678955
H 4.406110 -2.243772 0.035368
H 1.544351 0.364960 -1.837457
H 3.036148 0.726694 2.208793
H 0.453610 -2.731852 -1.296841
H 1.919786 -3.392101 -2.237050
H 2.006305 2.796649 -2.240224
H 3.485240 3.180520 1.829610
H 2.971057 4.217108 -0.402409


