%chk=000052636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052636

0 1
 O    7.068400      0.4229000      0.3292000    
 O  -0.9256000     -0.5186000       1.974900    
 O    1.356300     -0.4089000      -2.172400    
 N  -0.3745000     -0.5365000     -0.2829000    
 N   0.8060000     -0.3712000      8.5000001E-02
 C   -3.549100      0.2747000      0.2119000    
 C   -4.899300      1.0500000E-02 -0.1194000    
 C   -2.674300     -0.8008000      0.4371000    
 C   -3.113400       1.606400      0.3081000    
 C   -5.335100      -1.321100     -0.2158000    
 C   -5.774200       1.085800     -0.3447000    
 C   -3.124400      -2.117600      0.3374000    
 C   -4.452200      -2.377300      1.1300000E-02
 C   -3.996400       2.662400      8.1100002E-02
 C   -5.324300       2.402600     -0.2445000    
 C   -1.268900     -0.6077000      0.7826000    
 C    3.106300     -0.1156000     -0.6386000    
 C    5.757500      0.2459000      9.1000004E-03
 C    3.453400     -1.0700000E-02  0.6896000    
 C    4.031600     -4.7100000E-02  -1.655900    
 C    4.796800      0.1726000       1.017700    
 C    5.374900      0.1361000      -1.327700    
 C    1.670200     -0.3123000     -0.9886000    
 C    7.390100      0.5256000       1.715500    
 H   -2.084900       1.853400      0.5607000    
 H   -6.368700      -1.547500     -0.4693000    
 H   -6.816300      0.9063000     -0.6006000    
 H   -2.448400      -2.951200      0.5117000    
 H   -4.802100      -3.402600     -6.6500001E-02
 H   -3.647100       3.687900      0.1588000    
 H   -6.011200       3.225200     -0.4211000    
 H    2.734400     -6.3100003E-02   1.500700    
 H    3.755900     -0.1304000      -2.702600    
 H    5.024900      0.2500000       2.075400    
 H    6.119000      0.1921000      -2.117600    
 H    8.474100      0.6629000       1.786300    
 H    7.149000     -0.3972000       2.254100    
 H    6.925900       1.406300       2.172100    


%chk=000052636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052636

0 1
O 7.005886 0.387381 0.099993
O -0.843193 -1.099938 2.651145
O 0.815418 1.966285 -0.993829
N -0.476631 0.428468 0.940216
N 0.553472 -0.009281 0.317191
C -3.388173 0.104053 0.130639
C -4.755749 -0.247388 -0.223413
C -2.737737 -0.679859 1.168439
C -2.787545 1.212364 -0.557535
C -5.420034 -1.322046 0.450924
C -5.439831 0.487473 -1.248131
C -3.440940 -1.720760 1.810525
C -4.777421 -2.044161 1.459331
C -3.481393 1.908743 -1.551269
C -4.815645 1.544508 -1.909374
C -1.326658 -0.532785 1.629098
C 2.821249 0.807362 -0.223984
C 5.617190 0.457470 0.031788
C 3.345421 -0.344224 0.425566
C 3.721864 1.779751 -0.753081
C 4.734580 -0.522706 0.559535
C 5.103950 1.609893 -0.628357
C 1.372910 1.044948 -0.337399
C 7.609823 -0.764939 0.783185
H -1.773498 1.533826 -0.299550
H -6.448254 -1.569059 0.160199
H -6.468338 0.202060 -1.499171
H -2.920159 -2.284624 2.591605
H -5.291892 -2.861508 1.974547
H -2.991969 2.747859 -2.057020
H -5.342864 2.100717 -2.691825
H 2.655698 -1.100872 0.811887
H 3.307045 2.661528 -1.252162
H 5.117266 -1.417105 1.058941
H 5.812227 2.343394 -1.024133
H 8.693940 -0.594567 0.722151
H 7.349266 -1.711173 0.272643
H 7.295017 -0.808887 1.842784


