%chk=000115438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115438

0 1
 O    3.144100     -9.1000004E-03  -1.420000    
 O   -3.298200     -0.2113000      -1.349700    
 N    1.461100     -0.4430000      9.6199997E-02
 N   -1.298100      2.8899999E-02 -0.1887000    
 C   0.6950000     -0.2394000       1.315600    
 C   0.7037000      -1.395300     -0.6942000    
 C   0.2849000      -1.671200       1.685900    
 C   0.2904000      -2.438000      0.3511000    
 C  -0.5362000      0.6066000      0.9443000    
 C  -0.5208000     -0.6486000      -1.247600    
 C    2.563400      0.2452000     -0.3636000    
 C   -2.657700      0.2656000     -0.4095000    
 C    3.052300       1.359800      0.5243000    
 C   -3.354000       1.158600      0.5868000    
 C    4.279200       2.031000     -5.5000000E-02
 C   -4.809000       1.360300      0.2240000    
 H    1.271400      0.2428000       2.108300    
 H    1.298700      -1.822400      -1.506900    
 H  -0.6836000      -1.722300       2.193500    
 H    1.032100      -2.115000       2.354900    
 H    1.039300      -3.237400      0.4019000    
 H  -0.6755000      -2.904700      0.1327000    
 H   -1.179200      0.7208000       1.820300    
 H  -0.2274000       1.609100      0.6252000    
 H  -0.2012000      0.1371000      -1.943300    
 H   -1.169500      -1.334700      -1.802900    
 H    2.253400       2.098000      0.6475000    
 H    3.305900      0.9484000       1.506900    
 H   -3.306600      0.6948000       1.577200    
 H   -2.845700       2.127700      0.6209000    
 H    4.620800       2.833000      0.6070000    
 H    4.066600       2.470400      -1.035400    
 H    5.103100       1.319400     -0.1759000    
 H   -5.296200       2.009400      0.9586000    
 H   -5.351500      0.4090000      0.2039000    
 H   -4.912700       1.828900     -0.7606000    


%chk=000115438-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115438

0 1
O 3.189850 -0.085072 -1.486276
O -3.298456 -0.472342 -1.322881
N 1.461957 -0.271520 0.042090
N -1.322526 0.249998 -0.335297
C 0.615738 0.057443 1.211846
C 0.641632 -1.217984 -0.758159
C 0.098355 -1.347452 1.649429
C 0.116444 -2.198720 0.330477
C -0.555776 0.959241 0.711558
C -0.515053 -0.406762 -1.398104
C 2.671207 0.258708 -0.377261
C -2.717238 0.176635 -0.397510
C 3.345343 1.260321 0.578078
C -3.516967 0.912068 0.693965
C 4.730554 1.699592 0.071196
C -5.033149 0.843308 0.435426
H 1.182508 0.582669 1.996740
H 1.264581 -1.679441 -1.539469
H -0.912243 -1.285175 2.089735
H 0.774178 -1.778535 2.407720
H 0.798908 -3.059528 0.428235
H -0.885113 -2.580502 0.070503
H -1.215477 1.213257 1.555339
H -0.129967 1.903010 0.308896
H -0.088315 0.355733 -2.079608
H -1.199501 -1.050118 -1.974372
H 2.686014 2.144902 0.696565
H 3.433001 0.803076 1.584437
H -3.286419 0.464700 1.682832
H -3.187246 1.968958 0.746470
H 5.177696 2.439527 0.759473
H 4.654601 2.146681 -0.933897
H 5.410546 0.835078 -0.010843
H -5.584505 1.362346 1.240346
H -5.374678 -0.203757 0.385736
H -5.288183 1.312058 -0.529718


