%chk=000118032.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118032

0 1
 O    1.176100       1.201900     -7.9200000E-02
 O   0.3791000      -1.781700      -1.774700    
 O    1.721300      -2.373800      0.5724000    
 O  -0.4767000       2.367400      -1.280400    
 O    3.823900       1.299700      0.6856000    
 O   -3.637500     -0.6132000     -0.1858000    
 N   -1.635000      0.4096000      0.4090000    
 N   -3.461800      0.5328000       1.795700    
 C  -0.1583000      -1.312700     -0.5342000    
 C  -0.8590000      3.1300001E-02 -0.7764000    
 C   0.9878000      -1.158400      0.4750000    
 C    1.923200     -1.0800000E-02  7.1500003E-02
 C   0.1846000       1.116400      -1.105000    
 C    2.995000      0.2404000       1.127600    
 C   -2.962500      5.1100001E-02  0.5988000    
 H  -0.8604000      -2.078100     -0.1837000    
 H   -1.559000     -4.8999999E-02  -1.617100    
 H   0.5623000     -0.9450000       1.463600    
 H    2.426600     -0.2309000     -0.8793000    
 H   0.6863000      0.8947000      -2.053900    
 H    3.616600     -0.6424000       1.304500    
 H    2.546100      0.5519000       2.076200    
 H   -1.157900      0.9026000       1.157900    
 H  -0.3645000      -1.891700      -2.391600    
 H    1.095500      -3.074000      0.8244000    
 H   -1.211900       2.410600     -0.6460000    
 H    4.253400       1.014800     -0.1390000    
 H   -2.890000       1.080600       2.429700    
 H   -4.420100      0.3523000       2.075500    


%chk=000118032-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118032

0 1
O 1.044082 1.243053 -0.030428
O 0.376945 -1.862432 -1.710230
O 1.752615 -2.425036 0.523931
O -0.493813 2.345262 -1.464569
O 4.015157 1.186098 0.773989
O -3.588885 -0.663792 -0.073307
N -1.641079 0.528638 0.439627
N -3.503415 0.609727 1.882600
C -0.220779 -1.329632 -0.461161
C -0.934037 0.019198 -0.745712
C 0.979333 -1.183016 0.503975
C 1.881078 0.026291 0.117947
C 0.099192 1.085711 -1.174322
C 2.930507 0.297575 1.200953
C -2.953563 0.109450 0.706688
H -0.951657 -2.053282 -0.052185
H -1.689898 -0.133621 -1.536305
H 0.603747 -1.044163 1.533954
H 2.372702 -0.198985 -0.855636
H 0.657630 0.776638 -2.075190
H 3.322501 -0.678355 1.554339
H 2.456638 0.827342 2.044710
H -1.050857 0.948515 1.164767
H -0.323925 -2.293630 -2.257319
H 1.759700 -2.751250 -0.418266
H -1.194526 2.528692 -0.783269
H 4.520108 0.750163 0.041593
H -3.050329 1.311958 2.463657
H -4.451971 0.319283 2.106271


