%chk=000042640.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042640

0 1
 O    1.458600      -2.656900     -0.1277000    
 O  -0.8071000      -2.524100     -0.1308000    
 O    4.678400       1.913400      8.9500003E-02
 O    4.815800     -0.2755000     -6.5000001E-03
 N   -1.673300      0.4443000      9.9999997E-05
 N   -4.525000      0.5707000      0.1044000    
 N   0.2655000      -1.880100     -9.7300000E-02
 N    2.535400      -1.786500     -8.3899997E-02
 N    4.131900      0.7806000      3.7599999E-02
 C   -2.419000       1.103200      -1.076500    
 C   -2.367500      0.3542000       1.290900    
 C   -3.830000      0.5204000      -1.187500    
 C   -3.779400     -0.2054000       1.103100    
 C  -0.2749000      0.4950000      7.7000000E-03
 C   0.6026000     -0.5946000     -3.7900001E-02
 C   -5.889500      6.1099999E-02 -2.6699999E-02
 C   0.4425000       1.715700      6.5800004E-02
 C    2.046000     -0.5395000     -2.9400000E-02
 C    2.723000      0.6924000      2.9100001E-02
 C    1.866000       1.811500      7.5800002E-02
 H   -1.904500      0.9629000      -2.035000    
 H   -2.471300       2.182100     -0.8829000    
 H   -2.410700       1.349200       1.752100    
 H   -1.818700     -0.3030000       1.976700    
 H   -4.383100       1.102400      -1.934800    
 H   -3.771600     -0.5128000      -1.556100    
 H   -3.719100      -1.261600      0.8073000    
 H   -4.294700     -0.1665000       2.070500    
 H   -5.913200     -0.9838000     -0.3569000    
 H   -6.456900      0.6629000     -0.7454000    
 H   -6.419800      0.1326000      0.9295000    
 H  -0.1181000       2.650600      0.1101000    
 H    2.288600       2.815300      0.1237000    


%chk=000042640-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042640

0 1
O 1.488503 -2.679201 0.748096
O -0.973774 -2.484166 0.608121
O 4.639132 1.869297 -0.587220
O 4.818227 -0.260137 0.243077
N -1.641864 0.576875 0.091755
N -4.521953 0.430435 0.133382
N 0.130567 -1.864448 0.543984
N 2.552835 -1.796404 0.536078
N 4.121965 0.754626 -0.160100
C -2.454030 1.565986 -0.657325
C -2.368928 0.018540 1.266777
C -3.804117 0.934409 -1.056175
C -3.710772 -0.591379 0.836937
C -0.258429 0.582635 -0.006893
C 0.549978 -0.585514 0.307837
C -5.885964 -0.039325 -0.181971
C 0.470499 1.711603 -0.463666
C 2.007060 -0.572022 0.267092
C 2.671424 0.640634 -0.131594
C 1.885220 1.735203 -0.513265
H -1.914215 1.863837 -1.571138
H -2.639265 2.466441 -0.034499
H -2.564612 0.856381 1.969150
H -1.758205 -0.733334 1.783053
H -4.421850 1.709284 -1.546565
H -3.611792 0.123776 -1.805222
H -3.514034 -1.490216 0.203220
H -4.258411 -0.920361 1.738617
H -5.903937 -0.905086 -0.889180
H -6.468063 0.784623 -0.631661
H -6.394649 -0.346707 0.748610
H -0.069114 2.628704 -0.710547
H 2.409468 2.645213 -0.820165


