%chk=000155835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155835

0 1
 O    2.583500     -0.7198000      -2.251500    
 O    2.792900       2.256100     -1.7300000E-02
 O  -0.4549000      -3.716000      0.4192000    
 O   -1.573100       1.475600     -0.2142000    
 O    2.759000       3.557900       1.881100    
 O   -7.687000       2.328800     -0.2801000    
 N    3.644400     -0.7781000       1.361500    
 N    1.602200      -1.823500     -0.3909000    
 N   -3.606000     -9.4999999E-02  0.6465000    
 N    4.399100       3.818100      0.2907000    
 C    3.587100     -0.6068000     -8.8200003E-02
 C    2.300300     -0.6037000     -0.8568000    
 C    3.733800      -1.963600      0.5268000    
 C    2.494200      -2.770800      0.2653000    
 C    1.253500      0.5357000     -0.6317000    
 C   0.2872000      -1.545300     -0.1046000    
 C   1.5100000E-02 -0.2487000     -0.2456000    
 C    1.625600       1.580700      0.4148000    
 C  -0.7199000      -2.523600      0.3127000    
 C   -1.329600      0.2876000     -2.7600000E-02
 C    3.112400      0.4894000      -2.772100    
 C   -2.094200      -1.986400      0.5882000    
 C   -2.387200     -0.6773000      0.4291000    
 C   -3.080100      -3.031500       1.038900    
 C    3.269800       3.237700      0.8130000    
 C   -4.358800      0.5668000     -0.3844000    
 C   -5.666500       1.122500      0.1674000    
 C   -6.502800       1.833100     -0.8903000    
 H    4.453800     -0.1538000     -0.5414000    
 H    4.673100      -2.489900      0.4907000    
 H    2.717900     -0.7170000       1.779800    
 H    2.079800      -3.159500       1.201200    
 H    2.711700      -3.605200     -0.4085000    
 H    1.010200       1.056200      -1.563100    
 H   0.8166000       2.316100      0.5034000    
 H    1.773200       1.143000       1.406900    
 H    3.729900      0.2243000      -3.636600    
 H    2.311700       1.127900      -3.155700    
 H    3.746200       1.054300      -2.086300    
 H   -3.130400      -3.846800      0.3089000    
 H   -2.773900      -3.448300       2.004200    
 H   -4.097200      -2.647600       1.152200    
 H   -4.181500     -0.5839000       1.327100    
 H   -3.802200       1.392200     -0.8368000    
 H   -4.580900     -0.1473000      -1.187100    
 H   -5.460000       1.817500      0.9920000    
 H   -6.262100      0.3156000      0.6143000    
 H    4.784400       3.517100     -0.5982000    
 H    4.883200       4.564800      0.7776000    
 H   -6.784600       1.143400      -1.692200    
 H   -5.953200       2.676300      -1.320200    
 H   -8.200000       2.775600     -0.9749000    


%chk=000155835-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155835

0 1
O 2.801947 -0.938843 -2.120289
O 2.719216 2.408266 -0.343672
O -0.334748 -3.781895 0.699639
O -1.657722 1.458494 -0.554034
O 2.514942 3.962791 1.419287
O -7.969887 1.954658 -0.094802
N 3.375598 -0.816648 1.688098
N 1.640627 -1.847773 -0.280658
N -3.716093 -0.381272 0.168795
N 4.204500 4.130160 -0.203340
C 3.579776 -0.597168 0.200185
C 2.362755 -0.629525 -0.740877
C 3.719253 -1.994233 0.798151
C 2.551743 -2.860393 0.292613
C 1.269176 0.507196 -0.733808
C 0.310183 -1.585292 -0.074971
C 0.002042 -0.256661 -0.356269
C 1.527902 1.697429 0.198059
C -0.705697 -2.586570 0.390367
C -1.341043 0.236751 -0.296655
C 3.689768 0.061904 -2.733318
C -2.074447 -2.114129 0.460525
C -2.403263 -0.785274 0.117426
C -3.136729 -3.098752 0.904712
C 3.101404 3.552747 0.389873
C -4.313691 0.939299 -0.130470
C -5.844127 0.843086 0.022682
C -6.526748 2.182861 -0.267606
H 4.427294 0.038207 -0.057763
H 4.685691 -2.466411 0.986546
H 2.370703 -0.822448 1.958028
H 2.027910 -3.437846 1.071190
H 2.900448 -3.558004 -0.490490
H 1.183685 0.899110 -1.764768
H 0.660453 2.378308 0.188198
H 1.736134 1.395835 1.239240
H 3.692848 -0.177519 -3.808232
H 3.316959 1.092857 -2.578351
H 4.722832 -0.015230 -2.341249
H -2.655161 -4.064445 1.126934
H -3.663173 -2.766662 1.823195
H -3.900265 -3.279419 0.119831
H -4.385257 -1.100587 0.457312
H -3.891080 1.704054 0.546907
H -4.033295 1.253313 -1.152090
H -6.111482 0.532329 1.051805
H -6.254467 0.085270 -0.672902
H 4.609441 3.737070 -1.048855
H 4.596554 4.967413 0.217755
H -6.296618 2.512204 -1.304066
H -6.158820 2.960216 0.436635
H -8.462269 2.796073 -0.267255


