%chk=000121768.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121768

0 1
 O   -1.030600      -1.706700      0.7473000    
 O   -3.027500     -0.4389000     -0.2471000    
 O   -3.004500       1.781100      0.4089000    
 N    1.063300     -0.7519000      0.3872000    
 N    1.130900       1.636900     -0.1686000    
 C    1.895100      0.3950000     -4.7699999E-02
 C    1.781500      -2.026300      0.5807000    
 C    2.579700      4.0100001E-02  -1.375100    
 C    2.539400      -2.395700     -0.7039000    
 C    3.395200      -1.247500      -1.240100    
 C  -0.3323000     -0.7370000      0.4509000    
 C    2.685900      -1.991700       1.813700    
 C  -0.2431000       1.623300     -0.1387000    
 C    1.876600       2.870900     -0.3850000    
 C  -0.9951000      0.5548000      0.1322000    
 C    1.539800       3.881000      0.6952000    
 C   -2.449700      0.7318000      0.1230000    
 C   -4.457600     -0.4255000     -0.3042000    
 C   -4.947000      -1.793700     -0.7287000    
 H    2.653100      0.5457000      0.7299000    
 H    1.047800      -2.821500      0.7595000    
 H    3.242000      0.8463000      -1.709000    
 H    1.824500     -9.1499999E-02  -2.161400    
 H    1.806700      -2.664400      -1.476400    
 H    3.163300      -3.282000     -0.5404000    
 H    4.246700      -1.074200     -0.5717000    
 H    3.810300      -1.523700      -2.216100    
 H    3.504500      -1.273100       1.714600    
 H    2.110400      -1.716200       2.704000    
 H    3.130400      -2.976800       1.990300    
 H  -0.6887000       2.583800     -0.3751000    
 H    2.957100       2.689000     -0.3592000    
 H    1.642800       3.281100      -1.374300    
 H   0.5002000       4.218400      0.6416000    
 H    1.708700       3.463400       1.693700    
 H    2.174200       4.767100      0.5886000    
 H   -4.860000     -0.1786000      0.6846000    
 H   -4.787000      0.3273000      -1.029100    
 H   -6.038900      -1.819400     -0.7823000    
 H   -4.538200      -2.062100      -1.708500    
 H   -4.609100      -2.559700     -2.2900000E-02


%chk=000121768-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121768

0 1
O -0.887851 -1.893484 0.479396
O -3.192549 -0.587299 -0.376385
O -3.015335 1.691294 -0.811357
N 1.075257 -0.635856 0.420534
N 1.069575 1.701928 -0.254703
C 1.875192 0.463852 -0.155521
C 1.866588 -1.867182 0.719313
C 2.486612 0.031480 -1.518614
C 2.559453 -2.351500 -0.588086
C 3.360721 -1.229006 -1.295869
C -0.328548 -0.785752 0.211822
C 2.837714 -1.659464 1.901797
C -0.283303 1.624454 -0.368450
C 1.778023 2.999413 -0.201209
C -1.016734 0.446602 -0.242296
C 2.039458 3.482376 1.242192
C -2.465511 0.590973 -0.497175
C -4.659536 -0.463683 -0.621303
C -5.244471 -1.857058 -0.409877
H 2.714725 0.674015 0.540097
H 1.109412 -2.614943 1.013402
H 3.093261 0.853972 -1.945580
H 1.661251 -0.183846 -2.224099
H 1.772606 -2.724148 -1.272282
H 3.224048 -3.206195 -0.358033
H 4.249188 -0.954627 -0.690181
H 3.746128 -1.596247 -2.265217
H 3.665970 -0.962163 1.674400
H 2.291342 -1.273971 2.780133
H 3.293069 -2.627557 2.178668
H -0.826103 2.554823 -0.573733
H 2.733536 2.901183 -0.750109
H 1.168292 3.742859 -0.745624
H 1.088594 3.632438 1.782014
H 2.643118 2.750946 1.808963
H 2.589146 4.441115 1.229948
H -5.073813 0.282495 0.081435
H -4.816845 -0.086630 -1.648824
H -6.338273 -1.836083 -0.571042
H -4.797832 -2.579659 -1.113793
H -5.044775 -2.210966 0.615648


