%chk=000070578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070578

0 1
 O   0.4970000      0.3214000     -0.9183000    
 O   -1.298700      -1.117800     -0.4016000    
 O    1.247000      -2.139400      -1.678600    
 N   0.9605000      -3.037800      0.4395000    
 C   6.4900003E-02 -0.7709000     -0.1088000    
 C   0.8036000      -2.042400     -0.5297000    
 C    1.506500       1.120100     -0.4503000    
 C   -2.271300     -0.1982000     -0.1124000    
 C    1.668400      -4.286500      0.1707000    
 C   0.4289000      -2.902900       1.790000    
 C    2.477900      0.5828000      0.3873000    
 C   -2.090000      0.6873000      0.9445000    
 C    1.550000       2.460900     -0.8161000    
 C   -3.431700     -0.1588000     -0.8776000    
 C    3.505500       1.396300      0.8648000    
 C   -3.081100       1.623400       1.239800    
 C    2.577600       3.274500     -0.3388000    
 C   -4.422900      0.7773000     -0.5826000    
 C    3.555300       2.742100      0.5018000    
 C   -4.247500       1.668400      0.4762000    
 H   0.2087000     -0.5761000      0.9567000    
 H   0.9709000      -5.120700      0.2889000    
 H    2.492200      -4.385400      0.8833000    
 H    2.069900      -4.298700     -0.8456000    
 H  -0.5685000      -2.457800       1.777800    
 H    1.108800      -2.271800       2.369700    
 H   0.3550000      -3.885200       2.266800    
 H    2.495700     -0.4595000      0.6836000    
 H   -1.217300      0.6832000       1.586500    
 H   0.7899000       2.879500      -1.469700    
 H   -3.572200     -0.8510000      -1.702900    
 H    4.269600      0.9814000       1.515900    
 H   -2.947700       2.314100       2.067400    
 H    2.616400       4.322400     -0.6214000    
 H   -5.331200      0.8121000      -1.176900    
 H    4.355900       3.375400      0.8727000    
 H   -5.019800       2.396400      0.7068000    


%chk=000070578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070578

0 1
O 0.728850 0.395648 -0.892370
O -1.076218 -1.015619 -0.466494
O 2.095785 -1.964448 -1.151545
N 0.779865 -3.122707 0.390995
C 0.278748 -0.713426 -0.073007
C 1.125486 -1.994926 -0.340276
C 1.748914 1.236883 -0.395368
C -2.111405 -0.135102 -0.049637
C 1.508269 -4.378126 0.127489
C -0.345425 -3.223711 1.336920
C 2.625735 0.889170 0.660268
C -1.898596 1.091648 0.621794
C 1.856351 2.491584 -1.040766
C -3.418430 -0.584590 -0.347147
C 3.600348 1.824726 1.079545
C -3.021522 1.857219 1.014576
C 2.839813 3.407924 -0.617491
C -4.525762 0.194745 0.045455
C 3.712640 3.083791 0.450172
C -4.333976 1.417409 0.733647
H 0.323169 -0.414991 1.000894
H 0.813736 -5.156044 -0.242969
H 1.994032 -4.745323 1.051331
H 2.275829 -4.181446 -0.635860
H -0.644670 -2.239635 1.725045
H -0.038864 -3.853370 2.192534
H -1.232704 -3.681160 0.859394
H 2.595696 -0.102020 1.122572
H -0.891752 1.474694 0.808352
H 1.168696 2.722209 -1.860028
H -3.543701 -1.531716 -0.880856
H 4.284076 1.555019 1.892253
H -2.860769 2.809754 1.531536
H 2.923093 4.377725 -1.120395
H -5.538334 -0.153617 -0.185910
H 4.474662 3.798877 0.777244
H -5.195463 2.021053 1.037503


