%chk=000046502.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046502

0 1
 O  -0.6714000      4.4500001E-02   1.768100    
 O    2.660600      -1.776400     -0.8850000    
 O    2.249500       2.772600     -0.6002000    
 N   0.6353000       1.471400      0.4736000    
 N    2.389500      0.4989000     -0.7785000    
 C   0.5383000     -0.9290000     -7.9899997E-02
 C   0.3735000      -2.268700      0.6551000    
 C  -0.3943000     -0.9100000      -1.304600    
 C   0.1128000      0.2188000      0.8337000    
 C    1.963900     -0.8059000     -0.5920000    
 C    1.298000      -2.350200       1.849900    
 C   -1.825300     -0.9528000     -0.8797000    
 C    1.773800       1.666100     -0.3323000    
 C   5.6000002E-02   2.652900       1.101800    
 C   -2.709300      1.6000001E-02  -1.160000    
 C   -4.141200     -6.8999999E-03 -0.7135000    
 C   -4.309800      0.6587000      0.6434000    
 H   0.5862000      -3.110900     -1.5699999E-02
 H  -0.6451000      -2.417900       1.029100    
 H  -0.1920000      -1.772200      -1.953400    
 H  -0.2050000     -2.2200000E-02  -1.922800    
 H    2.355300      -2.310200       1.574000    
 H    1.112100      -1.564400       2.587300    
 H    1.144600      -3.306800       2.362400    
 H    3.283400      0.6175000      -1.247300    
 H   -2.182600      -1.835700     -0.3573000    
 H   9.4700001E-02   3.506300      0.4186000    
 H   0.6449000       2.887900       1.993900    
 H  -0.9822000       2.472100       1.394300    
 H   -2.380600      0.9036000      -1.694900    
 H   -4.756500      0.5055000      -1.461600    
 H   -4.508400      -1.038800     -0.6600000    
 H   -3.970700       1.699900      0.6188000    
 H   -5.364100      0.6533000      0.9381000    
 H   -3.740600      0.1334000       1.417900    


%chk=000046502-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046502

0 1
O -0.668485 0.077518 1.783716
O 2.554447 -1.724496 -1.300817
O 2.387968 2.822794 -0.425404
N 0.761281 1.475064 0.614355
N 2.400509 0.536611 -0.841781
C 0.571661 -0.959735 -0.057915
C 0.533441 -2.309080 0.713503
C -0.487480 -0.972881 -1.262849
C 0.189854 0.200847 0.871759
C 1.924223 -0.782161 -0.754282
C 1.581049 -2.417118 1.841231
C -1.931237 -1.062806 -0.832475
C 1.870827 1.691971 -0.232763
C 0.232563 2.629209 1.381098
C -2.862891 -0.111360 -1.102712
C -4.311985 -0.163282 -0.670847
C -4.667695 0.999613 0.293409
H 0.695889 -3.116793 -0.023249
H -0.476465 -2.426419 1.141744
H -0.202630 -1.848180 -1.879772
H -0.340033 -0.067748 -1.883235
H 2.610048 -2.333152 1.447737
H 1.426536 -1.638806 2.610191
H 1.497941 -3.397861 2.342577
H 3.248479 0.691630 -1.397059
H -2.232697 -1.960931 -0.276121
H 0.705599 3.541208 0.990919
H 0.463355 2.511746 2.452854
H -0.861588 2.673686 1.264280
H -2.556357 0.792854 -1.655677
H -4.970538 -0.103924 -1.561790
H -4.521900 -1.132264 -0.179813
H -4.484699 1.980961 -0.183468
H -5.733110 0.958459 0.584727
H -4.052578 0.945228 1.209232


