%chk=000009657.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009657

1 1
 O   0.8284000      0.9235000       2.083600    
 O   -4.465400     -0.9281000     -0.7355000    
 N    2.885300      -2.001000     -0.2118000    
 C    1.742600      -1.300800      0.4273000    
 C    1.765200      0.1703000      6.8999999E-03
 C   0.6405000       1.023700      0.6611000    
 C    2.884600      -3.491200      0.1543000    
 C    4.219300      -1.396900      0.2473000    
 C    2.809200      -1.884600      -1.740200    
 C  -0.7477000      0.4928000      0.2815000    
 C   0.7084000       2.513500      0.3493000    
 C   -1.154900      0.6015000      -1.026000    
 C   -1.525200     -6.8800002E-02   1.265300    
 C    1.552800       3.133700     -0.4899000    
 C   -2.417300      0.1191000      -1.371300    
 C   -2.787600     -0.5515000      0.9201000    
 C   -3.233700     -0.4576000     -0.3983000    
 C    1.544000       4.607800     -0.7321000    
 C   -5.248300      -1.505500      0.3083000    
 H    1.839200      -1.414000       1.513200    
 H   0.8226000      -1.800200      0.1042000    
 H    2.713500      0.6267000      0.3084000    
 H    1.675300      0.2699000      -1.078900    
 H    2.962600      -3.573200       1.242400    
 H    1.945400      -3.927200     -0.1985000    
 H    3.738100      -3.974800     -0.3297000    
 H    5.022400      -2.069600     -7.1199998E-02
 H    4.376300     -0.4242000     -0.2245000    
 H    4.207900      -1.318300       1.338200    
 H    3.077700     -0.8735000      -2.055500    
 H    3.533500      -2.584900      -2.169000    
 H    1.797200      -2.151300      -2.058700    
 H  -1.4800000E-02   3.130000      0.8840000    
 H    1.722200       1.244200       2.295400    
 H  -0.5307000       1.043400      -1.796000    
 H   -1.209900     -0.1638000       2.298400    
 H    2.293600       2.569200      -1.046900    
 H   -2.759000      0.1941000      -2.400100    
 H   -3.369600     -0.9885000       1.724400    
 H    1.358300       4.809500      -1.791500    
 H   0.7745000       5.121700     -0.1473000    
 H    2.515900       5.034300     -0.4659000    
 H   -4.770600      -2.400400      0.7214000    
 H   -6.195600      -1.825900     -0.1376000    
 H   -5.492000     -0.7701000       1.082500    


%chk=000009657-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000009657

1 1
O 1.111870 0.889660 2.017219
O -4.494085 -0.983765 -0.682542
N 2.930001 -2.058149 -0.255219
C 1.791591 -1.150424 0.283321
C 1.836090 0.310087 -0.182371
C 0.741853 1.112889 0.586820
C 2.665780 -3.477776 0.246795
C 4.287173 -1.596013 0.268805
C 2.941301 -2.065983 -1.780407
C -0.664074 0.540505 0.298738
C 0.771508 2.605166 0.288710
C -1.262874 0.744499 -0.975866
C -1.378441 -0.198591 1.268178
C 1.658202 3.282895 -0.485818
C -2.531046 0.219760 -1.271669
C -2.662088 -0.724777 0.991198
C -3.241360 -0.518267 -0.286427
C 1.630162 4.774012 -0.716358
C -5.312247 -1.698378 0.306472
H 1.857312 -1.182605 1.384147
H 0.847131 -1.627112 -0.030667
H 2.808885 0.775967 0.053801
H 1.638376 0.400300 -1.264581
H 2.633570 -3.467824 1.346759
H 1.698909 -3.824203 -0.148665
H 3.472444 -4.142347 -0.099288
H 5.059759 -2.305030 -0.066914
H 4.508597 -0.593446 -0.121841
H 4.252577 -1.565786 1.368257
H 3.210483 -1.066455 -2.148880
H 3.681806 -2.802112 -2.129942
H 1.938612 -2.338142 -2.143920
H -0.044904 3.164430 0.772427
H 0.759620 1.637943 2.562116
H -0.744188 1.345354 -1.733251
H -0.930848 -0.354843 2.255163
H 2.461726 2.738513 -1.004634
H -3.005038 0.382189 -2.244259
H -3.195803 -1.278353 1.769349
H 1.525492 5.008508 -1.793044
H 0.798217 5.257531 -0.177031
H 2.576361 5.241992 -0.382771
H -4.816444 -2.630580 0.639036
H -6.245505 -1.942209 -0.219932
H -5.532261 -1.056031 1.180085


