%chk=000093778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093778

0 1
 O   -1.876400      -2.833500     -0.1958000    
 O   0.1343000      -1.954500     -0.1377000    
 N   0.5441000      0.4965000      2.1100000E-02
 N    4.699100     -0.2917000     -7.6499999E-02
 N   -1.113800      -1.841100     -0.1307000    
 C    3.431100      0.4100000      0.1072000    
 C    2.578700     -0.3125000       1.152700    
 C    2.672400      0.4781000      -1.219500    
 C    1.218700      0.3648000       1.320100    
 C    1.308900       1.148900      -1.047600    
 C  -0.8525000      0.5957000      2.7100001E-02
 C   -1.684900     -0.5404000     -4.6500001E-02
 C   -1.467900       1.860900      0.1083000    
 C   -3.074200     -0.4152000     -3.9299998E-02
 C   -2.857200       1.986100      0.1156000    
 C   -3.660300      0.8479000      4.1600000E-02
 H    3.647000       1.428300      0.4524000    
 H    3.094200     -0.3202000       2.121200    
 H    2.438800      -1.361900      0.8654000    
 H    2.522400     -0.5343000      -1.618700    
 H    3.256400       1.030900      -1.965500    
 H   0.6150000     -0.2269000       2.019400    
 H    1.345900       1.359500       1.765500    
 H    1.441700       2.212200     -0.8129000    
 H   0.7660000       1.085100      -1.998600    
 H    4.526200      -1.244500     -0.3950000    
 H    5.176500     -0.3772000      0.8201000    
 H  -0.8613000       2.761800      0.1720000    
 H   -3.735100      -1.276500     -9.5200002E-02
 H   -3.313800       2.969400      0.1800000    
 H   -4.742000      0.9460000      4.7499999E-02


%chk=000093778-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093778

0 1
O -2.055864 -2.745183 1.017143
O -0.021796 -2.203768 0.153896
N 0.541392 0.607626 0.110797
N 4.762679 -0.263191 -0.279416
N -1.226614 -1.879833 0.515138
C 3.486724 0.329909 0.176584
C 2.546381 -0.647965 0.934630
C 2.731562 0.915608 -1.034941
C 1.217520 0.039527 1.304406
C 1.388691 1.567845 -0.633695
C -0.845076 0.605816 -0.038814
C -1.710897 -0.508911 0.280160
C -1.509145 1.789232 -0.513792
C -3.126442 -0.379907 0.239242
C -2.904113 1.887716 -0.592943
C -3.732028 0.806279 -0.191086
H 3.745725 1.166566 0.860388
H 3.040172 -1.006592 1.859069
H 2.329017 -1.525680 0.299570
H 2.528431 0.102674 -1.760660
H 3.370168 1.665282 -1.536569
H 0.548943 -0.656952 1.826462
H 1.425561 0.884297 2.003595
H 1.585276 2.475357 -0.016684
H 0.861199 1.885074 -1.547891
H 4.627678 -1.027557 -0.953100
H 5.375952 -0.557536 0.489545
H -0.907875 2.668826 -0.758449
H -3.718776 -1.255554 0.516874
H -3.354516 2.824853 -0.938889
H -4.821929 0.887838 -0.232870


