%chk=000137363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137363

1 1
 O    1.618100     -0.5195000       1.514300    
 O   -1.685900       2.258900     -7.2400004E-02
 O    2.739500       3.161400       1.235700    
 O    2.647100      -3.238000       1.247100    
 O    4.930700     -3.6499999E-02  -1.201300    
 N   -3.255100     -0.1182000      0.1291000    
 N    2.660900      0.3961000     -0.8606000    
 N    4.158500       1.700500      0.1346000    
 C  -0.4627000      0.2621000      0.5545000    
 C   -1.147000       1.026500     -0.5816000    
 C   0.9570000      0.6901000      0.9899000    
 C   -2.321000      0.1236000      -1.055500    
 C    1.828100       1.339200     -0.1286000    
 C  -0.1687000       1.423900      -1.695900    
 C  -0.1039000      -1.121000      0.1327000    
 C   -1.439500      0.1579000       1.743600    
 C    1.023300       2.196100      -1.113600    
 C   -1.879600      -1.269300      -1.596400    
 C  -0.7641000      -1.894800     -0.8012000    
 C    1.040500      -1.536400      0.7863000    
 C   -2.868500     -0.1388000       1.361600    
 C    2.934100       2.194200      0.5109000    
 C  -0.2751000      -3.184800      -1.008100    
 C   -4.697300     -0.3125000     -0.1982000    
 C    1.530100      -2.810400      0.6103000    
 C    4.026700      0.6149000     -0.6966000    
 C   0.8520000      -3.642900     -0.2915000    
 C   -5.414500      0.9963000     -0.2145000    
 C   -6.463700       1.281400      0.5654000    
 H   0.8762000       1.391500       1.830300    
 H   -2.916900      0.6524000      -1.808800    
 H  -0.6788000       2.075400      -2.416600    
 H   0.1922000      0.5538000      -2.254100    
 H   -1.462600       1.102500       2.302800    
 H   -1.134300     -0.6097000       2.466700    
 H    1.664800       2.522900      -1.943200    
 H   0.6823000       3.118900     -0.6295000    
 H   -1.516600      -1.137700      -2.623600    
 H   -2.727000      -1.963800      -1.638700    
 H   -3.605000     -0.3261000       2.157900    
 H   -1.031600       2.663700      0.5207000    
 H    2.289800     -0.3459000      -1.445800    
 H  -0.7476000      -3.841400      -1.733800    
 H   -4.763600     -0.7909000      -1.181000    
 H   -5.120400      -1.011500      0.5332000    
 H    5.046600       2.091600      0.4271000    
 H    1.210000      -4.653500     -0.4760000    
 H   -5.076000       1.753400     -0.9179000    
 H    2.829000      -4.155300      0.9797000    
 H   -6.950300       2.248500      0.4998000    
 H   -6.852600      0.5627000       1.278200    


%chk=000137363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137363

1 1
O 1.484610 -0.376094 1.616320
O -1.625800 2.544677 -0.391823
O 3.048067 3.147153 1.085900
O 2.259804 -3.209123 1.667588
O 4.961976 -0.665166 -0.932787
N -3.226328 0.336974 -0.107933
N 2.731009 0.157740 -0.821186
N 4.346149 1.369751 0.171593
C -0.422721 0.525831 0.446287
C -1.007069 1.261032 -0.789809
C 1.008056 0.889152 0.940023
C -2.233194 0.409919 -1.254828
C 2.014913 1.281445 -0.209304
C 0.058895 1.490378 -1.875328
C -0.206792 -0.944993 0.111177
C -1.456474 0.648074 1.597446
C 1.306061 2.178229 -1.267207
C -1.891402 -1.029697 -1.740909
C -0.914627 -1.732065 -0.807221
C 0.855716 -1.420002 0.891713
C -2.857473 0.419300 1.148540
C 3.187659 2.079852 0.444675
C -0.556174 -3.103651 -0.863466
C -4.680335 0.158382 -0.510625
C 1.213436 -2.784569 0.860817
C 4.106331 0.167428 -0.575510
C 0.470096 -3.613914 -0.029986
C -5.664015 0.464032 0.592461
C -6.512628 -0.457605 1.112290
H 1.028401 1.677194 1.711514
H -2.747343 0.964271 -2.059866
H -0.368390 2.119312 -2.678552
H 0.361814 0.535167 -2.341306
H -1.442574 1.670446 2.035117
H -1.214847 -0.041996 2.428728
H 2.030646 2.402560 -2.069020
H 1.059724 3.151071 -0.794225
H -1.450281 -0.936199 -2.753462
H -2.820847 -1.613031 -1.881009
H -3.658659 0.348327 1.896168
H -0.980735 3.287553 -0.499347
H 2.296617 -0.647742 -1.267296
H -1.054322 -3.781681 -1.564704
H -4.833999 0.839287 -1.368226
H -4.798161 -0.879157 -0.871134
H 5.281667 1.632704 0.485847
H 0.726466 -4.678642 -0.095600
H -5.720689 1.512103 0.917921
H 2.478869 -4.164762 1.530743
H -7.259228 -0.180573 1.863715
H -6.504276 -1.507182 0.792487


