%chk=000076901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076901

0 1
 O   0.7223000      0.3678000     -0.7453000    
 O    1.227500      0.6615000       1.494600    
 O   -1.656500      -2.780900      0.2867000    
 O   0.3118000      -2.032100     -0.3331000    
 N    2.931600      0.2432000     -3.2099999E-02
 N  -0.8913000      -1.841800     -3.6100000E-02
 C  -0.6222000      0.5627000     -0.4124000    
 C   -1.405300     -0.5161000     -6.6799998E-02
 C   -1.109300       1.851500     -0.4462000    
 C   -2.743000     -0.2960000      0.2619000    
 C    1.598100      0.4432000      0.3417000    
 C   -2.446900       2.071600     -0.1174000    
 C   -3.263700      0.9979000      0.2366000    
 C    3.986700      0.2864000      0.9701000    
 C    3.360100     -1.8800000E-02  -1.402200    
 H  -0.4743000       2.687500     -0.7222000    
 H   -3.411300      -1.106000      0.5428000    
 H   -2.852200       3.079000     -0.1372000    
 H   -4.305200       1.169700      0.4924000    
 H    4.501800     -0.6785000      0.9807000    
 H    3.588600      0.4876000       1.967800    
 H    4.694000       1.076900      0.7031000    
 H    3.865500     -0.9886000      -1.429700    
 H    4.060300      0.7654000      -1.704700    
 H    2.526400     -3.6800001E-02  -2.106500    


%chk=000076901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076901

0 1
O 0.806489 0.893522 -0.568634
O 1.326527 0.393685 1.685125
O -1.291333 -2.581526 0.883170
O 0.559802 -1.836761 -0.208559
N 2.956167 0.237206 -0.007960
N -0.625112 -1.655960 0.278443
C -0.571714 0.823392 -0.330631
C -1.277318 -0.341678 0.091841
C -1.301605 2.007054 -0.579289
C -2.677911 -0.293172 0.295148
C 1.704064 0.456076 0.493553
C -2.698464 2.043838 -0.403936
C -3.389810 0.892574 0.047000
C 4.025523 -0.145211 0.930691
C 3.283063 0.189913 -1.442025
H -0.742182 2.891912 -0.896218
H -3.178275 -1.203095 0.636943
H -3.243844 2.972182 -0.602773
H -4.472921 0.920290 0.198928
H 4.343337 -1.189079 0.746519
H 3.647788 -0.064558 1.960374
H 4.897887 0.522432 0.804305
H 3.572953 -0.838857 -1.730194
H 4.128129 0.870052 -1.659091
H 2.412262 0.492071 -2.036228


