%chk=000055754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055754

0 1
 O   -2.219200      0.3859000      -2.194900    
 N   -2.347900     -0.8159000     -0.1934000    
 N   0.8809000      0.4032000     -0.8051000    
 N    4.639900      -1.143600      0.2708000    
 C   -1.949600      -3.305900       1.212300    
 C   -2.263200      -3.274300     -0.2838000    
 C   -1.261700      -2.015400       1.658300    
 C   -3.051200      -2.020600     -0.6540000    
 C   -2.064500     -0.7855000       1.241700    
 C   -1.993800      0.2747000     -0.9909000    
 C   -1.301800       1.402300     -0.3542000    
 C   8.9400001E-02   1.446300     -0.2744000    
 C   -2.065800       2.441200      0.1758000    
 C   0.7178000       2.531400      0.3367000    
 C   -1.437300       3.526100      0.7870000    
 C  -4.5600001E-02   3.571300      0.8676000    
 C    2.138500     -0.1144000     -0.4450000    
 C    2.969500     -0.6722000      -1.412200    
 C    2.560300     -7.2099999E-02  0.8807000    
 C    4.198200      -1.168000      -1.006700    
 C    3.807300     -0.5948000       1.183600    
 H   -2.880400      -3.437400       1.777400    
 H   -1.310200      -4.165800       1.440100    
 H   -1.321900      -3.292200     -0.8473000    
 H   -2.829000      -4.168500     -0.5666000    
 H   -1.128500      -2.023600       2.745700    
 H  -0.2623000      -1.968200       1.208800    
 H   -3.191800      -1.965700      -1.738200    
 H   -4.041700      -2.027000     -0.1849000    
 H   -3.034000     -0.7825000       1.755900    
 H   -1.533200      0.1014000       1.585700    
 H   -3.151100       2.417400      0.1193000    
 H    1.800100       2.607400      0.3935000    
 H   0.4771000     -4.2599998E-02  -1.623800    
 H   -2.031600       4.336300       1.199200    
 H   0.4436000       4.418900       1.338700    
 H    2.674600     -0.7218000      -2.455100    
 H    1.942300      0.3303000       1.676000    
 H    4.881600      -1.612300      -1.722900    
 H    4.178600     -0.5905000       2.203100    


%chk=000055754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055754

0 1
O -0.870671 -0.746836 -1.734262
N -2.466787 -0.967227 -0.057886
N 1.361988 0.420989 -0.789666
N 5.578804 -0.257752 -0.502632
C -3.241459 -3.413048 1.374572
C -2.805569 -3.450317 -0.108908
C -2.576592 -2.220446 2.099141
C -3.093299 -2.096129 -0.793911
C -2.856891 -0.880256 1.371762
C -1.405280 -0.296169 -0.648950
C -0.901753 0.982042 -0.041337
C 0.501507 1.304725 -0.115520
C -1.801676 1.937758 0.497772
C 0.947308 2.544458 0.426451
C -1.350554 3.165571 1.018883
C 0.035163 3.454854 0.990550
C 2.745744 0.251816 -0.661828
C 3.441158 -0.446946 -1.693561
C 3.515362 0.674040 0.461723
C 4.824184 -0.671724 -1.569015
C 4.898194 0.399004 0.485585
H -4.345417 -3.309722 1.431054
H -2.982206 -4.361762 1.880297
H -1.722406 -3.666859 -0.180879
H -3.339019 -4.252020 -0.653970
H -2.943257 -2.139510 3.140509
H -1.481131 -2.377790 2.146476
H -2.701756 -2.080161 -1.822567
H -4.187966 -1.915584 -0.819390
H -3.939229 -0.642120 1.435188
H -2.298201 -0.067018 1.856906
H -2.875426 1.720320 0.479119
H 2.000800 2.821921 0.340829
H 0.855451 -0.178774 -1.468063
H -2.063742 3.890770 1.422770
H 0.404694 4.411254 1.377091
H 2.902680 -0.802844 -2.578922
H 3.051700 1.166381 1.319842
H 5.367854 -1.204992 -2.357420
H 5.500093 0.713405 1.346667


