%chk=000122983.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122983

0 1
 O    1.315600       1.258900     -0.2029000    
 O   -1.419400      -2.296400       1.099900    
 O   0.1144000      -1.507100       2.466000    
 O   0.2862000       2.164700       1.657400    
 N  -0.2667000     -0.4555000      0.5140000    
 N  -0.5317000      -1.493400       1.411600    
 C    1.154900     -9.7499996E-02  0.2976000    
 C    1.859600      -1.039200     -0.7039000    
 C   -1.076200     -0.4330000     -0.7069000    
 C   -2.515600     -3.7700001E-02 -0.3820000    
 C    3.325300     -0.6786000     -0.9831000    
 C   -3.373700      1.2900000E-02  -1.646700    
 C    4.012000      -1.627300      -1.953000    
 C   -4.816300      0.3711000      -1.327600    
 C   0.8402000       2.274800      0.5723000    
 C    1.091400       3.583300     -0.1128000    
 H    1.712700     -0.1279000       1.242600    
 H    1.806500      -2.071200     -0.3356000    
 H    1.339800      -1.014000      -1.669700    
 H   -1.039200      -1.394400      -1.235800    
 H  -0.6914000      0.3169000      -1.409900    
 H   -2.522800      0.9517000      9.4400004E-02
 H   -2.991100     -0.7251000      0.3240000    
 H    3.387600      0.3366000      -1.391600    
 H    3.881000     -0.6759000     -3.7799999E-02
 H   -3.350600     -0.9602000      -2.151200    
 H   -2.964900      0.7515000      -2.345900    
 H    4.010100      -2.650600      -1.564700    
 H    5.051700      -1.324100      -2.110500    
 H    3.505500      -1.627100      -2.923400    
 H   -5.410300      0.4056000      -2.246300    
 H   -5.267000     -0.3701000     -0.6599000    
 H   -4.879400       1.351800     -0.8453000    
 H   0.5551000       3.611800      -1.064600    
 H    2.164300       3.719700     -0.2704000    
 H   0.7266000       4.398900      0.5181000    


%chk=000122983-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122983

0 1
O 0.909493 0.987273 -0.379713
O -1.710669 -2.163007 1.620978
O 0.424746 -1.785967 2.383743
O 0.662069 1.793876 1.803939
N -0.214514 -1.029661 0.286665
N -0.515961 -1.683708 1.503712
C 1.104433 -0.397869 0.145640
C 2.026684 -1.117861 -0.848121
C -1.264444 -0.974560 -0.751785
C -2.368602 0.075332 -0.489013
C 3.443261 -0.503022 -0.897106
C -3.462443 0.026748 -1.580525
C 4.373705 -1.265454 -1.863901
C -4.566336 1.081301 -1.352632
C 0.688512 2.008319 0.576987
C 0.503312 3.335268 -0.122394
H 1.543677 -0.351327 1.157819
H 2.088298 -2.176789 -0.530061
H 1.574722 -1.103415 -1.859169
H -1.719373 -1.978210 -0.837994
H -0.742256 -0.745022 -1.698014
H -1.916226 1.085104 -0.459818
H -2.823510 -0.114670 0.500012
H 3.368587 0.556985 -1.204325
H 3.880265 -0.510844 0.121683
H -3.916772 -0.984591 -1.596668
H -3.002107 0.181364 -2.578411
H 4.485063 -2.323198 -1.560313
H 5.381675 -0.813574 -1.886459
H 3.974774 -1.251488 -2.895687
H -5.343605 1.025535 -2.136261
H -5.059590 0.931028 -0.374512
H -4.147960 2.105391 -1.363484
H -0.390971 3.300667 -0.769548
H 1.368864 3.549587 -0.772341
H 0.387400 4.134361 0.623475


