%chk=000060450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060450

0 1
 O  -0.5866000     -0.8971000      0.2053000    
 O  -0.8024000       3.675200     -0.7314000    
 O   0.6586000      -2.296200      -1.097400    
 N   -4.131800      -1.882900      0.4202000    
 N    1.678700     -0.4343000     -0.1021000    
 C   -2.923500      -1.099100      0.6743000    
 C   -5.130300      -1.634200       1.459200    
 C   -4.677500      -1.567200     -0.8994000    
 C   -1.731800      -1.698200     -5.5399999E-02
 C   -5.566000     -0.1787000       1.464800    
 C   -5.899000      -2.417000      -1.205900    
 C    1.489100      0.9675000      0.1649000    
 C   0.5945000      -1.296700     -0.3823000    
 C    3.016000     -0.9753000     -8.2999997E-02
 C   0.4219000       1.649900     -0.4190000    
 C    2.372500       1.643300       1.006700    
 C   0.2380000       3.008500     -0.1611000    
 C    4.099400     -0.1696000     -0.4337000    
 C    3.225900      -2.304000      0.2866000    
 C    2.188700       3.001600       1.264400    
 C    1.121500       3.684300      0.6806000    
 C    5.392400     -0.6923000     -0.4149000    
 C    4.519100      -2.826600      0.3054000    
 C    5.602300      -2.020700     -4.5299999E-02
 C   -1.983800       2.923100      -1.004900    
 C   -3.185900       3.836700     -0.8967000    
 H   -2.674600      -1.096700       1.744400    
 H   -3.030100     -4.5000002E-02  0.3895000    
 H   -4.703500      -1.884400       2.439300    
 H   -5.997000      -2.297000       1.365100    
 H   -4.899300     -0.5047000      -1.050200    
 H   -3.939400      -1.823800      -1.667600    
 H   -1.891300      -1.720000      -1.138000    
 H   -1.547700      -2.720100      0.2982000    
 H   -4.743700      0.5260000       1.616200    
 H   -6.124600      0.1111000      0.5706000    
 H   -6.251600     -2.5300000E-02   2.307300    
 H   -5.718700      -3.476800     -0.9954000    
 H   -6.786500      -2.092500     -0.6547000    
 H   -6.144300      -2.335100      -2.271000    
 H  -0.2184000       1.137900      -1.131200    
 H    3.172700       1.143900       1.545200    
 H    3.984400      0.8463000     -0.8006000    
 H    2.411100      -2.951800      0.5970000    
 H    2.866100       3.524600       1.933300    
 H   0.9812000       4.741600      0.8883000    
 H    6.234600     -7.0400000E-02 -0.7041000    
 H    4.683700      -3.859100      0.5995000    
 H    6.608800      -2.428400     -3.2800000E-02
 H   -2.126000       2.110400     -0.2827000    
 H   -1.921300       2.508800      -2.017100    
 H   -4.110900       3.292900      -1.108900    
 H   -3.099200       4.672800      -1.598400    
 H   -3.252700       4.269300      0.1071000    


%chk=000060450-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060450

0 1
O -0.798509 -1.058220 0.485877
O -0.229367 4.016097 -0.645970
O 0.533481 -2.776089 -0.367600
N -4.380186 -2.058705 0.874808
N 1.418308 -0.609828 0.085313
C -3.174668 -1.196187 0.906771
C -5.315643 -1.845484 2.007089
C -5.007268 -2.125956 -0.469916
C -1.940596 -2.016557 0.505376
C -6.081582 -0.493645 2.019432
C -6.002768 -3.291031 -0.621420
C 1.061383 0.714804 0.589135
C 0.415575 -1.587529 0.028386
C 2.785934 -0.838312 -0.329486
C 0.592797 1.685911 -0.323174
C 1.221263 1.009446 1.956950
C 0.257126 2.975277 0.156505
C 3.706567 0.245406 -0.258925
C 3.245804 -2.100137 -0.801692
C 0.887152 2.304651 2.420878
C 0.406327 3.285657 1.533082
C 5.049570 0.069700 -0.650732
C 4.593862 -2.255905 -1.189572
C 5.507981 -1.181316 -1.120250
C -0.409560 3.749647 -2.088646
C -0.963948 5.029692 -2.707192
H -3.024109 -0.809745 1.930961
H -3.256111 -0.307994 0.238338
H -4.729226 -1.941051 2.940703
H -6.043160 -2.677917 2.015800
H -5.513003 -1.165176 -0.744011
H -4.192478 -2.264535 -1.205592
H -2.045028 -2.475773 -0.493645
H -1.735605 -2.817357 1.236343
H -5.383295 0.363532 2.031759
H -6.736954 -0.388578 1.135659
H -6.718860 -0.424731 2.920761
H -5.519968 -4.243799 -0.341064
H -6.898995 -3.157596 0.010727
H -6.344758 -3.364475 -1.670111
H 0.493244 1.414339 -1.377285
H 1.595147 0.239960 2.638815
H 3.378955 1.223413 0.101926
H 2.553948 -2.939971 -0.862260
H 1.001815 2.548545 3.482421
H 0.141707 4.290495 1.875806
H 5.737645 0.920171 -0.585411
H 4.926674 -3.236269 -1.549441
H 6.551833 -1.314737 -1.423528
H -1.111360 2.900535 -2.220376
H 0.567464 3.474576 -2.536507
H -1.119384 4.890169 -3.792388
H -0.263603 5.869174 -2.558929
H -1.929769 5.297909 -2.246300


