%chk=000056553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056553

0 1
 O   0.1928000     -0.8900000      0.1492000    
 O   -1.732900      -1.041300      -1.671500    
 O   -1.189800      -2.256800       1.377800    
 N    4.668700     -0.5404000     -0.6209000    
 C    2.786100      0.7336000      0.4471000    
 C    4.106000      0.9409000       1.247000    
 C    3.049900       1.259400     -0.9947000    
 C    5.262900      0.1696000      0.5496000    
 C    4.239600      0.4787000      -1.623200    
 C    2.567400     -0.7780000      0.3355000    
 C    3.615900      -1.389900     -0.2459000    
 C    1.322100      -1.415500      0.8323000    
 C   -2.165500     -0.7937000     -0.3199000    
 C   -1.026300      -1.398600      0.5170000    
 C   -2.258200      0.7209000     -0.1103000    
 C   -3.492700      -1.538900     -0.1434000    
 C   -2.058500       1.222900       1.154300    
 C   -2.537700       1.518700      -1.195200    
 C   -3.675600      -2.792500     -0.9684000    
 C   -4.484400      -1.148600      0.6772000    
 C   -2.143200       2.602000       1.345100    
 C   -2.622100       2.897900      -1.004400    
 C   -2.424800       3.439600      0.2658000    
 H    1.943900       1.248900      0.9180000    
 H    3.990500      0.5797000       2.276500    
 H    4.355200       2.006700       1.309200    
 H    3.277200       2.331800     -0.9781000    
 H    2.155700       1.132700      -1.617700    
 H    5.715100     -0.5533000       1.239100    
 H    6.055900      0.8548000      0.2284000    
 H    5.066800       1.153800      -1.871400    
 H    3.929500     -1.3900000E-02  -2.552600    
 H    3.740600      -2.441500     -0.4542000    
 H    1.223200      -1.220400       1.906800    
 H    1.362800      -2.500800      0.6799000    
 H   -1.852000      0.5892000       2.010700    
 H   -2.713000       1.121400      -2.189600    
 H  -0.9364000     -0.5095000      -1.844400    
 H   -3.747200      -2.548900      -2.033200    
 H   -4.587200      -3.335800     -0.6960000    
 H   -2.834600      -3.477000     -0.8171000    
 H   -4.416100     -0.2658000       1.300600    
 H   -5.405300      -1.718300      0.7543000    
 H   -1.992900       3.023700       2.334700    
 H   -2.845700       3.549900      -1.843700    
 H   -2.492200       4.513200      0.4147000    


%chk=000056553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056553

0 1
O 0.201094 -1.721595 -0.523833
O -1.971984 -1.314856 -1.879689
O -0.828268 -1.608079 1.571926
N 4.493187 0.110455 -0.699324
C 2.334204 0.287858 0.729497
C 3.585615 0.488586 1.648888
C 2.348849 1.438313 -0.331416
C 4.864689 0.372730 0.745374
C 3.660210 1.282337 -1.181169
C 2.505379 -1.035955 -0.009769
C 3.652228 -1.085717 -0.746022
C 1.514944 -2.153500 0.095743
C -2.058688 -0.861730 -0.480563
C -0.867803 -1.449989 0.333738
C -1.924814 0.679562 -0.392499
C -3.396257 -1.412508 0.053725
C -1.725671 1.331679 0.851834
C -2.028181 1.453934 -1.572255
C -3.506890 -2.924783 0.065241
C -4.414995 -0.598919 0.424577
C -1.621478 2.738878 0.908785
C -1.923921 2.862702 -1.512505
C -1.717558 3.510475 -0.273202
H 1.405407 0.316484 1.322950
H 3.594955 -0.269915 2.452326
H 3.523361 1.483706 2.128646
H 2.323772 2.412028 0.193269
H 1.447192 1.380672 -0.966198
H 5.517148 -0.452431 1.076781
H 5.461339 1.302354 0.764611
H 4.297661 2.182518 -1.116292
H 3.429916 1.109071 -2.245567
H 3.986791 -1.935632 -1.353470
H 1.292976 -2.433144 1.142149
H 1.818167 -3.039043 -0.486340
H -1.661417 0.740672 1.772528
H -2.200822 0.939583 -2.522197
H -1.005901 -1.418789 -2.096413
H -3.285879 -3.329439 -0.938735
H -4.519395 -3.245339 0.361880
H -2.785414 -3.371706 0.776313
H -4.333991 0.491773 0.403422
H -5.368910 -1.019629 0.762513
H -1.470359 3.232211 1.875672
H -2.009588 3.452235 -2.432456
H -1.637404 4.602482 -0.227473


