%chk=000148033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148033

0 1
 O    3.254800     -0.2949000       1.007300    
 O    1.442400      -1.901100      -1.649200    
 O    3.215200      -3.164700     -2.2600001E-02
 O    5.889600      0.6581000      0.8943000    
 N    1.309800      0.7377000      0.1237000    
 N   0.9436000       2.928500     -8.8000000E-02
 N  -0.9831000     -6.5399997E-02  0.1445000    
 N   -2.571000       1.776100     -6.4199999E-02
 N   -1.874900       4.057100     -0.2605000    
 C    2.473500      -1.130200      -1.066500    
 C    2.044700     -0.5179000      0.2582000    
 C    3.668400      -1.961000     -0.6421000    
 C    4.319000      -1.077200      0.4176000    
 C    5.353700     -0.1219000     -0.1601000    
 C  -4.7499999E-02  0.8937000      7.7200003E-02
 C    1.859900       1.989300      2.1400001E-02
 C  -0.2532000       2.257800     -5.4499999E-02
 C   -1.573500       2.690800     -0.1262000    
 C   -2.219000      0.4741000      6.5200001E-02
 C   -3.313200     -0.4624000      0.1270000    
 C   -3.179900      -1.652400      0.8478000    
 C   -4.513600     -0.1856000     -0.5331000    
 C   -4.238500      -2.558500      0.9079000    
 C   -5.572300      -1.091800     -0.4729000    
 C   -5.434700      -2.278200      0.2477000    
 H    2.780700     -0.3579000      -1.781200    
 H    1.410400      -1.195000      0.8437000    
 H    4.322700      -2.237800      -1.473500    
 H    4.764800      -1.661600       1.230500    
 H    4.917300      0.5643000     -0.8925000    
 H    6.173300     -0.6691000     -0.6350000    
 H    1.211700      -2.613000      -1.028500    
 H    4.002400      -3.649800      0.2787000    
 H    2.927900       2.159300      2.6500000E-02
 H    5.151500       1.136300       1.309600    
 H   -1.132500       4.741900     -0.3065000    
 H   -2.842300       4.346400     -0.3100000    
 H   -2.264900      -1.896800       1.382400    
 H   -4.650400      0.7247000      -1.112200    
 H   -4.132700      -3.481400       1.470600    
 H   -6.503200     -0.8751000     -0.9888000    
 H   -6.259100      -2.983700      0.2945000    


%chk=000148033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148033

0 1
O 2.921066 -0.384806 0.947161
O 2.258827 -1.556789 -2.501738
O 3.253793 -3.153058 -0.635650
O 5.341581 0.439469 2.072061
N 1.315762 0.749750 -0.411702
N 0.912257 2.984121 -0.758413
N -1.012581 -0.019736 -0.029475
N -2.631546 1.815535 -0.198703
N -2.006836 4.042977 -0.667169
C 2.948207 -0.927307 -1.403443
C 2.016126 -0.502806 -0.227303
C 3.960062 -1.861884 -0.688761
C 4.142525 -1.220092 0.701963
C 5.353325 -0.276172 0.801181
C -0.075473 0.920588 -0.293041
C 1.849580 2.024710 -0.686231
C -0.296980 2.302824 -0.519710
C -1.654925 2.735081 -0.463592
C -2.289230 0.495443 0.007319
C -3.398697 -0.453122 0.294149
C -3.123450 -1.827064 0.529431
C -4.743749 0.001706 0.335400
C -4.174010 -2.727356 0.800370
C -5.792551 -0.901432 0.606152
C -5.513038 -2.269218 0.839593
H 3.461206 -0.045267 -1.822663
H 1.247878 -1.276709 -0.040831
H 4.913047 -1.958592 -1.244219
H 4.186389 -1.977425 1.507054
H 5.351188 0.431508 -0.058405
H 6.297902 -0.847879 0.789423
H 2.083254 -2.498934 -2.229992
H 3.834869 -3.861543 -0.267570
H 2.917465 2.196249 -0.797484
H 4.429178 0.814667 2.191912
H -1.287460 4.735046 -0.865161
H -2.988534 4.305889 -0.617024
H -2.082717 -2.162179 0.494612
H -4.937293 1.062451 0.152161
H -3.952208 -3.785258 0.981183
H -6.827302 -0.541621 0.635458
H -6.329109 -2.970067 1.049898


