%chk=000042833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042833

0 1
 O  -0.4489000     -0.3633000     -0.7614000    
 O   -1.573400       1.388200      -1.744500    
 N    1.698200       2.502900      4.8599999E-02
 C   0.6596000       1.495400      0.2723000    
 C   0.7978000      0.3404000     -0.7340000    
 C   0.7236000      0.9546000       1.705800    
 C    2.037000      0.2256000       1.992200    
 C    1.913500     -0.6283000     -0.4060000    
 C    2.465000     -0.7065000      0.8865000    
 C    2.386200      -1.493000      -1.407200    
 C    3.487300      -1.633600       1.144500    
 C    1.526000       3.623500      0.9706000    
 C    1.665200       2.967500      -1.336500    
 C    3.396200      -2.414800      -1.135000    
 C    3.946900      -2.484900      0.1407000    
 C   -1.545200      0.3872000      -1.045500    
 C   -2.747000     -0.1751000     -0.3793000    
 C   -3.762200      0.6804000     -2.6000000E-03
 C   -2.811900      -1.535500     -0.1580000    
 C   -4.891500      0.1523000      0.6230000    
 C   -3.941300      -2.063500      0.4677000    
 C   -4.981000      -1.219500      0.8581000    
 H  -0.3097000       1.997800      0.1875000    
 H   0.9465000      0.6788000      -1.762900    
 H  -9.9100001E-02  0.2369000       1.836100    
 H   0.5395000       1.719900       2.466800    
 H    1.923300     -0.3403000       2.925000    
 H    2.837900      0.9578000       2.151900    
 H    1.963500      -1.453600      -2.408400    
 H    3.934100      -1.693300       2.134100    
 H    1.762200       3.351400       2.003400    
 H   0.5172000       4.050400      0.9322000    
 H    2.233000       4.427300      0.7306000    
 H   0.6543000       3.213600      -1.680800    
 H    2.130800       2.254000      -2.022800    
 H    2.272600       3.874400      -1.450600    
 H    3.752400      -3.077100      -1.918400    
 H    4.736400      -3.199500      0.3539000    
 H   -3.702000       1.750600     -0.1769000    
 H   -2.022600      -2.215600     -0.4639000    
 H   -5.700800      0.8094000      0.9279000    
 H   -4.012800      -3.132200      0.6482000    
 H   -5.860600      -1.630800       1.344800    


%chk=000042833-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042833

0 1
O -0.620803 -0.087347 -0.040735
O -1.712878 1.295368 -1.579070
N 1.988641 2.655394 0.141136
C 0.887238 1.755067 0.590061
C 0.696967 0.575112 -0.398668
C 1.162969 1.145295 1.986237
C 2.491746 0.363467 1.990592
C 1.760569 -0.499069 -0.311109
C 2.594227 -0.621999 0.834210
C 1.911301 -1.403199 -1.391886
C 3.555762 -1.662216 0.867726
C 2.223814 3.767515 1.090587
C 1.801970 3.177283 -1.235436
C 2.871837 -2.434046 -1.349075
C 3.698861 -2.563859 -0.207917
C -1.752138 0.375915 -0.720633
C -2.986492 -0.356824 -0.310065
C -4.219570 0.034752 -0.893591
C -2.953233 -1.418036 0.631851
C -5.410814 -0.629643 -0.537466
C -4.148141 -2.080542 0.983987
C -5.377367 -1.688094 0.402172
H -0.082974 2.315220 0.621184
H 0.570312 0.937901 -1.431764
H 0.321626 0.464655 2.215598
H 1.168101 1.922966 2.769749
H 2.620972 -0.168726 2.952543
H 3.332396 1.080667 1.902933
H 1.263937 -1.296050 -2.271437
H 4.200688 -1.762120 1.749981
H 2.548155 3.384804 2.072515
H 1.320061 4.409044 1.250281
H 3.033580 4.408700 0.700721
H 0.809598 3.667399 -1.388954
H 1.909704 2.373438 -1.982332
H 2.591284 3.920456 -1.443094
H 2.977709 -3.126214 -2.191496
H 4.449049 -3.361418 -0.159527
H -4.218884 0.855179 -1.618888
H -1.995342 -1.713123 1.068955
H -6.361770 -0.326573 -0.988675
H -4.122905 -2.901741 1.708476
H -6.303562 -2.204858 0.678023


