%chk=000029823.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029823

0 1
 O   -4.606100     -0.6053000      -1.004700    
 O    3.961700      -1.392500      0.6834000    
 N   -2.491300     -0.6080000     -0.1190000    
 N   -4.126100      -1.990700      0.7513000    
 C  -0.6575000      0.2660000      0.1339000    
 C   -1.771000      0.3665000     -0.9147000    
 C   -1.350700     -0.9823000      0.6931000    
 C  -0.7045000       1.421700       1.117100    
 C   0.7893000      0.1150000     -0.3703000    
 C  -0.3035000       2.739300      0.4550000    
 C   -3.793100      -1.033200     -0.1841000    
 C    1.736600     -0.5792000      0.3926000    
 C    1.173700      0.6700000      -1.597300    
 C  -0.3228000       3.891600       1.446400    
 C    3.047500     -0.7162000     -6.4400002E-02
 C    2.484300      0.5330000      -2.054200    
 C    3.421200     -0.1602000      -1.287800    
 C    3.512300      -1.935500       1.923900    
 H   -2.304500       1.315600      -1.008900    
 H   -1.554800     -2.7400000E-02  -1.913300    
 H  -0.9367000      -1.949700      0.3904000    
 H   -1.547800     -0.9864000       1.768900    
 H  -4.6399999E-02   1.226300       1.974500    
 H   -1.712900       1.536800       1.538300    
 H  -0.9681000       2.982000     -0.3804000    
 H   0.7125000       2.694300      5.3300001E-02
 H    1.396700     -0.9873000       1.338700    
 H   0.4664000       1.223500      -2.208700    
 H   -1.324800       4.032100       1.864200    
 H   0.3724000       3.711200       2.272600    
 H  -2.8100001E-02   4.823000      0.9525000    
 H    2.776300      0.9682000      -3.005500    
 H   -5.063600      -2.376200      0.7934000    
 H   -3.454900      -2.346700       1.422900    
 H    4.440900     -0.2630000      -1.648800    
 H    3.195200      -1.148500       2.616600    
 H    4.368100      -2.439900       2.384400    
 H    2.737200      -2.694900       1.774000    


%chk=000029823-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029823

0 1
O -4.439533 -0.942604 -1.386318
O 3.964282 -1.471754 0.625040
N -2.600592 -0.537689 -0.017431
N -4.045464 -2.324037 0.463380
C -0.690156 0.393373 0.193444
C -1.902354 0.492804 -0.821853
C -1.430069 -0.850428 0.842485
C -0.655021 1.596327 1.180829
C 0.688316 0.106361 -0.391036
C -0.207864 2.936799 0.556252
C -3.732220 -1.250380 -0.375761
C 1.647005 -0.571162 0.410135
C 1.056645 0.542985 -1.684666
C -0.260142 4.098244 1.572173
C 2.950045 -0.808813 -0.086296
C 2.364388 0.301634 -2.172977
C 3.314324 -0.372539 -1.385445
C 3.650490 -1.947486 1.973056
H -2.422732 1.465271 -0.861024
H -1.684886 0.154997 -1.851657
H -0.956850 -1.825992 0.611831
H -1.618116 -0.769974 1.931338
H 0.023301 1.345996 2.023212
H -1.670892 1.714837 1.611851
H -0.857822 3.177096 -0.309544
H 0.818938 2.835221 0.156733
H 1.364730 -0.906569 1.414204
H 0.332138 1.071706 -2.312705
H -1.285837 4.244102 1.960605
H 0.401382 3.900218 2.436904
H 0.064806 5.048742 1.111305
H 2.641551 0.641186 -3.177017
H -4.880913 -2.856172 0.235647
H -3.528677 -2.540524 1.312334
H 4.327628 -0.573617 -1.745478
H 3.376937 -1.109762 2.644429
H 4.575046 -2.422152 2.333063
H 2.831291 -2.693247 1.958257


