%chk=000040223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040223

1 1
 O    1.987000      9.2900001E-02  -1.625000    
 O   -1.258500      0.1487000     -9.2900001E-02
 O  -0.5226000      0.7888000      -2.181000    
 N   -4.921800      0.5482000      0.3015000    
 C    1.495800      0.9434000      0.5442000    
 C    2.956600      0.7889000       1.044100    
 C    2.873100       2.938300      0.4379000    
 C    1.460600       2.429700      6.9499999E-02
 C    3.157900       2.151200       1.720900    
 C    1.071900     -4.8300002E-02 -0.5290000    
 C    3.915100      0.9660000     -0.1107000    
 C    3.860600       2.254800     -0.4776000    
 C    1.092100      -1.526500     -0.1393000    
 C  -0.3110000      0.3477000      -1.057800    
 C    1.446000      -2.455600      -1.091400    
 C   0.7553000      -1.874300       1.149500    
 C   -2.597100      0.4954000     -0.4607000    
 C   -3.530000      0.2221000      0.7025000    
 C    1.464200      -3.804300     -0.7358000    
 C   0.7737000      -3.222900       1.505100    
 C    1.128100      -4.188000      0.5625000    
 C   -5.049100       2.032800     -6.6299997E-02
 C   -5.346900     -0.2835000     -0.9162000    
 C   -5.901100      0.2543000       1.446100    
 H   0.8222000      0.8850000       1.410000    
 H    3.162600     -6.7299999E-02   1.687600    
 H    2.988600       4.019500      0.5169000    
 H    1.239900       2.581100     -0.9908000    
 H   0.7033000       2.976900      0.6444000    
 H    2.437000       2.351500       2.521600    
 H    4.173400       2.300500       2.109600    
 H    4.504100      0.1912000     -0.5753000    
 H    4.390800       2.710900      -1.298100    
 H    1.820100      0.9365000      -2.076400    
 H    1.693900      -2.193000      -2.114600    
 H   0.4595000      -1.152600       1.901800    
 H   -2.844800     -0.1077000      -1.338200    
 H   -2.588000       1.554400     -0.7342000    
 H   -3.484500     -0.8321000       1.002300    
 H   -3.259000      0.8258000       1.577200    
 H    1.735500      -4.556500      -1.470900    
 H   0.5080000      -3.522400       2.514700    
 H    1.140400      -5.238300      0.8387000    
 H   -6.113100       2.264000     -0.1795000    
 H   -4.544400       2.227900      -1.015400    
 H   -4.619000       2.627700      0.7446000    
 H   -5.103200      -1.332000     -0.7219000    
 H   -4.848500      8.5900001E-02  -1.815600    
 H   -6.428000     -0.1673000      -1.044800    
 H   -5.609700      0.8636000       2.306600    
 H   -6.913300      0.5096000       1.119200    
 H   -5.831800     -0.8105000       1.687000    


%chk=000040223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040223

1 1
O 1.196296 0.260065 -1.824719
O -1.202204 1.259697 0.736023
O -1.438509 0.887222 -1.545024
N -4.711238 0.061084 0.037442
C 1.646074 1.283762 0.414900
C 3.112814 0.742860 0.702988
C 3.491334 2.818415 -0.165607
C 1.914708 2.689931 -0.237267
C 3.770664 2.077377 1.181605
C 0.745257 0.340919 -0.443058
C 3.844299 0.552984 -0.636513
C 4.069964 1.800938 -1.155237
C 0.597296 -1.087811 0.164057
C -0.702866 0.868775 -0.540191
C 0.623153 -2.204886 -0.707243
C 0.412635 -1.298147 1.555620
C -2.656132 1.513429 0.759849
C -3.390892 0.149872 0.841743
C 0.487404 -3.514775 -0.193080
C 0.280398 -2.608431 2.067485
C 0.317932 -3.722173 1.195232
C -5.633663 1.226893 0.388321
C -4.432877 0.048635 -1.471544
C -5.404909 -1.249066 0.417773
H 1.149764 1.421199 1.390401
H 3.143363 -0.113818 1.390755
H 3.860172 3.849045 -0.266459
H 1.548390 2.753286 -1.276311
H 1.440251 3.496934 0.348299
H 3.266251 2.537412 2.051258
H 4.846678 1.962469 1.391235
H 4.124306 -0.413555 -1.066021
H 4.524190 2.049916 -2.118312
H 2.182812 0.432452 -1.826561
H 0.766690 -2.028107 -1.777226
H 0.380506 -0.447630 2.245058
H -2.937349 2.091191 -0.139198
H -2.815280 2.123081 1.660527
H -2.734931 -0.646014 0.450656
H -3.650439 -0.098743 1.884691
H 0.525161 -4.371630 -0.874677
H 0.164510 -2.761337 3.146303
H 0.227282 -4.738104 1.594745
H -6.613743 1.059464 -0.083646
H -5.203171 2.164661 0.009609
H -5.751536 1.278794 1.481830
H -3.945329 -0.902844 -1.731686
H -3.747814 0.866132 -1.734568
H -5.392550 0.143087 -2.002252
H -5.711178 -1.206105 1.474214
H -6.288902 -1.383894 -0.223933
H -4.703139 -2.082811 0.264313


