%chk=000037615.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037615

0 1
 O   0.3123000       1.204500       1.035100    
 O   -3.594300      -1.652500      2.6900001E-02
 O   -5.373400     -0.1920000      5.4099999E-02
 O    1.032900      0.3612000     -0.9973000    
 N    2.471000      0.4746000      0.8469000    
 C   -3.139500      0.6366000     -3.5900000E-02
 C  -0.9121000       1.417000      0.4802000    
 C   -1.884700      0.4187000      0.5331000    
 C   -3.421600       1.853000     -0.6576000    
 C   -1.194200       2.633400     -0.1415000    
 C    3.684800     -5.4299999E-02  0.3524000    
 C   -2.449100       2.851400     -0.7103000    
 C   -4.154000     -0.4040000      1.9300001E-02
 C    4.782100     -0.1395000       1.194700    
 C    3.753900     -0.4784000     -0.9651000    
 C    1.277200      0.6406000      0.1708000    
 C   -4.494300      -2.764700      7.8500003E-02
 C    5.979600     -0.6625000      0.7068000    
 C    4.951400      -1.001500      -1.453000    
 C    6.064300      -1.093400     -0.6170000    
 C   -3.692100      -4.048500      7.9000004E-02
 H   -1.646800     -0.5168000       1.033800    
 H   -4.393200       2.038200      -1.108500    
 H  -0.4412000       3.415400     -0.1860000    
 H   -2.668300       3.798400      -1.195000    
 H    2.479700      0.7687000       1.820600    
 H    4.726900      0.1931000       2.227600    
 H    2.937100     -0.4394000      -1.671000    
 H   -5.096900      -2.702600      0.9913000    
 H   -5.154400      -2.739100     -0.7955000    
 H    6.846200     -0.7342000       1.357600    
 H    5.018800      -1.337600      -2.483800    
 H    6.996600      -1.500600     -0.9970000    
 H   -4.350200      -4.920900      0.1183000    
 H   -3.070200      -4.114500     -0.8198000    
 H   -3.013400      -4.078200      0.9377000    


%chk=000037615-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037615

0 1
O 0.392240 0.047021 -0.169851
O -4.156096 -1.717045 0.464789
O -5.669169 -0.073639 -0.200022
O 1.870930 1.783393 -0.880353
N 2.596405 -0.296815 -0.010828
C -3.271204 0.365052 -0.338056
C -0.855431 0.680359 -0.433540
C -1.964881 -0.135369 -0.131247
C -3.459232 1.676882 -0.846048
C -1.020821 1.991766 -0.940818
C 4.015820 -0.186934 -0.044604
C -2.336203 2.473222 -1.140905
C -4.482646 -0.453253 -0.034783
C 4.762051 -1.301518 0.423233
C 4.690948 0.968893 -0.517169
C 1.665355 0.642473 -0.407891
C -5.313223 -2.603640 0.793827
C 6.170675 -1.262177 0.419194
C 6.102336 0.990869 -0.513936
C 6.851417 -0.114415 -0.049946
C -4.731057 -3.909214 1.325003
H -1.813640 -1.144151 0.259346
H -4.479419 2.042071 -0.998198
H -0.152094 2.609185 -1.170940
H -2.473303 3.486252 -1.533274
H 2.201336 -1.168618 0.348756
H 4.240712 -2.195445 0.789059
H 4.115650 1.824405 -0.876177
H -5.946088 -2.086183 1.537386
H -5.911399 -2.747001 -0.124242
H 6.734892 -2.127977 0.782568
H 6.618876 1.885268 -0.879634
H 7.945896 -0.083546 -0.053143
H -5.550116 -4.604501 1.584587
H -4.091993 -4.393911 0.567174
H -4.126622 -3.732161 2.231085


