%chk=000122257.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122257

0 1
 O   0.7532000      0.6092000      -1.349700    
 O    2.535300       2.039800       1.421000    
 O   0.3908000       3.246800      0.2977000    
 O    2.487400      -1.271000      -1.410100    
 N    4.103200     -6.2899999E-02 -0.2487000    
 N   -1.302800      0.1029000     -0.2624000    
 N   -2.070100      -1.921100      0.2792000    
 N   -3.398800       1.327800     -0.3598000    
 N   -5.297300     -0.1187000      0.1496000    
 N   -5.040300      -2.440200      0.6711000    
 C    5.137400      -1.072200     -0.2413000    
 C    6.194100      -1.062800      0.8080000    
 C    5.144700      -2.135400      0.8017000    
 C    1.976100      0.9369000     -0.6787000    
 C    1.602000       1.205600      0.7650000    
 C   0.2446000       1.864500      0.6230000    
 C  -0.3467000       1.160600     -0.5953000    
 C    2.863900     -0.2527000     -0.8354000    
 C   -2.661400      0.2236000     -0.1680000    
 C  -0.9975000      -1.204600      1.4600000E-02
 C   -3.117100      -1.041000      0.1686000    
 C   -4.490900      -1.192600      0.3282000    
 C   -4.709900       1.057400     -0.1784000    
 H    5.449000      -1.352700      -1.242000    
 H    6.144100     -0.3160000       1.590900    
 H    7.200000      -1.339900      0.5173000    
 H    5.444300      -3.133200      0.5054000    
 H    4.391200      -2.106100       1.579300    
 H    2.434200       1.803500      -1.169700    
 H    1.511900      0.2672000       1.326000    
 H  -0.3587000       1.798800       1.533600    
 H  -0.8718000       1.853700      -1.262800    
 H    4.318100      0.8264000      0.1952000    
 H    2.172400       2.250000       2.298300    
 H  -0.5026000       3.616700      0.1940000    
 H   1.5900001E-02  -1.581000      1.6600000E-02
 H   -5.385400       1.895500     -0.3136000    
 H   -6.041500      -2.524800      0.7822000    
 H   -4.440500      -3.242900      0.8057000    


%chk=000122257-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122257

0 1
O 0.833047 1.004236 -1.687245
O 2.381403 2.275308 1.367214
O 0.393874 3.487088 0.129205
O 2.343119 -1.336158 -1.330400
N 3.982043 -0.179512 -0.133493
N -1.157984 0.157399 -0.644918
N -1.878631 -2.018546 -0.610362
N -3.124350 1.264993 0.400338
N -4.882866 -0.357639 0.977440
N -4.678205 -2.678938 0.576813
C 4.867269 -1.317243 0.017135
C 5.912989 -1.287163 1.129757
C 4.721966 -2.258012 1.223469
C 2.001846 1.062904 -0.790841
C 1.470140 1.410720 0.640082
C 0.092714 2.069232 0.354179
C -0.365639 1.371611 -0.951812
C 2.776374 -0.271481 -0.802231
C -2.430306 0.181806 -0.065239
C -0.875852 -1.189633 -0.962671
C -2.856595 -1.172454 -0.052226
C -4.146549 -1.420565 0.501720
C -4.344080 0.896730 0.902769
H 5.137989 -1.783049 -0.935228
H 5.915660 -0.429535 1.811190
H 6.905662 -1.688116 0.909575
H 4.893869 -3.324551 1.058595
H 3.934800 -2.024141 1.945355
H 2.653325 1.888336 -1.136480
H 1.343259 0.500947 1.248895
H -0.642583 1.940499 1.165949
H -0.975428 2.039773 -1.584998
H 4.230583 0.710167 0.310937
H 2.130171 3.209170 1.116027
H -0.433698 4.024166 0.179484
H 0.072642 -1.473310 -1.420303
H -4.968642 1.704933 1.295251
H -5.605571 -2.801604 0.977853
H -4.147266 -3.473268 0.225516


