%chk=000155314.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155314

0 1
 O   -1.012400     -0.6576000      3.4299999E-02
 O   0.2937000      -2.017100       1.963200    
 O    2.503000      -2.475700       1.467100    
 O   -2.189900      -1.572100      -1.719600    
 N    2.687600      0.8098000      -1.147000    
 C    2.738500     -0.3537000     -0.2512000    
 C    1.815300      0.3717000      -2.242700    
 C    3.292100       2.423600      0.5689000    
 C    1.370800     -0.6217000      0.4209000    
 C    3.118000      -1.432600      -1.280700    
 C    2.495900     -0.9543000      -2.599200    
 C    2.341300       2.076500     -0.5302000    
 C   0.3617000      0.1490000      -1.783400    
 C   0.2489000     -0.8336000     -0.6071000    
 C    2.814300       2.359600       1.984400    
 C    3.076900       3.687900       1.337500    
 C    1.484500      -1.811000       1.331900    
 C   -2.108000     -0.8310000     -0.7524000    
 C   0.2608000      -3.126500       2.866700    
 C   -3.230300      1.8400000E-02 -0.2798000    
 C   -4.524900     -0.4148000     -0.4808000    
 C   -2.943900       1.214300      0.3462000    
 C   -5.579300      0.3829000     -3.6600001E-02
 C   -3.998500       2.011900      0.7906000    
 C   -5.316300       1.596100      0.5990000    
 H    3.535200     -0.2683000      0.4969000    
 H    1.844200       1.062800      -3.092000    
 H    4.323800       2.175500      0.3475000    
 H    1.114600      0.2173000       1.077600    
 H    2.771600      -2.438600      -1.028100    
 H    4.208400      -1.482100      -1.395000    
 H    3.291200     -0.7940000      -3.337700    
 H    1.801500      -1.691600      -3.015300    
 H    2.420200       2.860100      -1.294300    
 H    1.308600       2.110500     -0.1664000    
 H  -0.1034000       1.108500      -1.525700    
 H  -0.2160000     -0.2277000      -2.636600    
 H   0.2951000      -1.865700     -0.9812000    
 H    1.781500       2.115400       2.197200    
 H    3.515100       2.015600       2.735500    
 H    3.951300       4.240000       1.659600    
 H    2.222400       4.306800       1.092700    
 H  -0.7409000      -3.181200       3.301000    
 H   0.4620000      -4.058200       2.329400    
 H   0.9860000      -2.979900       3.672800    
 H   -4.742300      -1.359000     -0.9712000    
 H   -1.928000       1.567300      0.4961000    
 H   -6.605300      5.9000000E-02 -0.1849000    
 H   -3.794100       2.958200       1.283000    
 H   -6.137300       2.217400      0.9445000    


%chk=000155314-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155314

0 1
O -1.221234 -0.068996 -0.379195
O 1.129768 -1.085317 2.593149
O 0.469563 -2.674962 1.020471
O -2.214462 -1.212263 -2.157015
N 2.860940 0.730875 -1.096867
C 2.597840 -0.415985 -0.201051
C 2.077924 0.390555 -2.321692
C 3.857001 2.385687 0.468184
C 1.082179 -0.384013 0.305601
C 2.866877 -1.624693 -1.142508
C 2.532320 -1.076482 -2.575065
C 2.773603 2.104653 -0.565457
C 0.543041 0.484435 -2.050224
C 0.133190 -0.461610 -0.902740
C 3.604718 2.135738 1.966084
C 3.695408 3.572611 1.428636
C 0.831832 -1.504496 1.288652
C -2.323657 -0.529692 -1.107044
C 0.987461 -2.121619 3.644665
C -3.617174 -0.108201 -0.492098
C -4.818480 -0.477040 -1.151622
C -3.672141 0.638642 0.713508
C -6.064853 -0.100062 -0.611570
C -4.922021 1.012751 1.250883
C -6.118971 0.645861 0.590486
H 3.257438 -0.391459 0.680673
H 2.350279 1.070630 -3.148540
H 4.869841 2.177845 0.104479
H 0.933373 0.573271 0.837366
H 2.260326 -2.505035 -0.869443
H 3.929311 -1.912059 -1.075653
H 3.430118 -1.087465 -3.215066
H 1.746951 -1.665136 -3.080949
H 2.902234 2.790864 -1.425987
H 1.778459 2.349517 -0.114421
H 0.278959 1.523884 -1.774484
H -0.026528 0.223536 -2.959369
H 0.045756 -1.502214 -1.262778
H 2.620968 1.761252 2.268663
H 4.431937 1.757993 2.574329
H 4.580177 4.166325 1.674767
H 2.768305 4.152864 1.371009
H 1.252816 -1.610849 4.580892
H -0.050277 -2.493847 3.673174
H 1.667416 -2.966952 3.444890
H -4.749455 -1.056323 -2.078328
H -2.739675 0.913519 1.214094
H -6.990823 -0.385490 -1.122318
H -4.965357 1.588425 2.181913
H -7.088021 0.938628 1.010312


