%chk=000122171.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122171

-1 1
 O   -1.586800       1.686700     -0.6431000    
 O   -3.763100     -0.2754000       1.564600    
 O   -5.722700       1.195000      0.2486000    
 O   -5.514100      4.6599999E-02  -2.293100    
 O    4.587800       1.716400      -1.052500    
 O    1.401500       4.563000      0.5773000    
 N   0.3981000      0.1702000      0.6737000    
 N    2.942000     -0.3224000     -0.4857000    
 N    1.017800       2.484400      0.5823000    
 N    3.096400       3.282900     -0.2703000    
 C   -1.968400      0.5760000      0.1695000    
 C  -0.9169000      0.3926000       1.270400    
 C   -3.382100      0.8203000      0.7339000    
 C   -4.446900      0.9993000     -0.3649000    
 C   0.7936000      -1.157300      0.3951000    
 C    1.253300       1.221900      0.3798000    
 C    2.063900      -1.377300     -0.1816000    
 C  -1.2000000E-02  -2.279800      0.6620000    
 C   -4.535800     -0.2129000      -1.291000    
 C    2.577000      0.8901000     -0.2295000    
 C   0.4246000      -3.574200      0.3680000    
 C    1.676100      -3.775500     -0.1992000    
 C    2.491600      -2.681600     -0.4726000    
 C  -0.4742000      -4.728200      0.6726000    
 C    3.509200       2.008600     -0.5526000    
 C    2.165900      -5.148300     -0.5229000    
 C    1.924400       3.479000      0.2612000    
 H   -1.952000     -0.3233000     -0.4544000    
 H  -0.8772000       1.316600       1.863700    
 H   -1.192300     -0.3749000       2.000300    
 H   -3.376900       1.717700       1.365200    
 H   -4.246500       1.899700     -0.9562000    
 H   -1.005200      -2.173300       1.087300    
 H   -3.596900     -0.4303000      -1.804500    
 H   -4.862300      -1.106200     -0.7498000    
 H    3.473900      -2.830500     -0.9171000    
 H   -2.098000       1.639900      -1.468200    
 H   -4.655000     -8.8299997E-02   1.903900    
 H   -5.655500       1.980100      0.8185000    
 H  -0.7219000      -5.275500     -0.2427000    
 H   8.9999998E-04  -5.408800       1.386600    
 H   -1.420200      -4.402900       1.119300    
 H    3.168100      -5.128300     -0.9652000    
 H    2.225500      -5.760300      0.3829000    
 H    1.503800      -5.633500      -1.247400    
 H   -5.216200      0.8216000      -2.799500    


%chk=000122171-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122171

-1 1
O -2.061354 2.025251 -0.440762
O -3.705951 -0.924445 1.049801
O -5.945688 0.472160 0.614414
O -3.938874 1.671275 -2.278419
O 4.598984 1.950844 -0.735794
O 0.664128 4.501409 -0.938474
N 0.289555 0.023866 0.386866
N 2.996835 -0.378092 -0.402297
N 0.465383 2.274654 -0.301276
N 2.673174 3.288808 -0.852631
C -2.162247 0.662268 0.059963
C -1.006432 0.339080 1.034743
C -3.507028 0.514107 0.795468
C -4.716608 1.077676 -0.001484
C 0.778751 -1.291650 0.293830
C 1.048035 1.096722 -0.120448
C 2.146628 -1.459244 -0.117584
C -0.010004 -2.437793 0.576155
C -4.733469 0.728058 -1.504051
C 2.472235 0.846839 -0.397455
C 0.532220 -3.735441 0.472015
C 1.900985 -3.913795 0.075411
C 2.672053 -2.774830 -0.213593
C -0.344534 -4.939389 0.767171
C 3.330220 2.084269 -0.677790
C 2.502431 -5.303734 -0.038173
C 1.311775 3.425653 -0.728428
H -2.148710 -0.074366 -0.773606
H -0.844862 1.233798 1.667059
H -1.290613 -0.506557 1.679279
H -3.454796 1.054338 1.769502
H -4.738966 2.179440 0.093708
H -1.066759 -2.329538 0.840702
H -4.391789 -0.321542 -1.651253
H -5.775153 0.806014 -1.863044
H 3.719331 -2.859417 -0.522117
H -0.990525 2.307811 -0.406393
H -4.696527 -1.033136 1.118036
H -6.217356 1.025302 1.389487
H -0.414092 -5.614156 -0.108249
H 0.064282 -5.543490 1.600886
H -1.367993 -4.631916 1.040118
H 3.559826 -5.250940 -0.347890
H 2.458232 -5.849675 0.924749
H 1.963539 -5.924681 -0.780777
H -3.121972 1.947786 -1.724674


