%chk=000021267.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021267

0 1
 O   0.3478000     -0.4156000      -1.746000    
 O   -5.576000     -0.6084000      0.1657000    
 N    1.429000       3.950000      0.4302000    
 C   0.8980000      -1.077800      0.5373000    
 C   9.1399997E-02 -8.0499999E-02 -0.3711000    
 C   0.2689000      -2.480500      0.4992000    
 C   -1.428300     -0.2383000     -0.1977000    
 C   -1.138400      -2.426900       1.083900    
 C   -1.989100      -1.348000      0.4664000    
 C    2.393800      -1.119700      0.2359000    
 C   0.5678000       1.354500     -8.5600004E-02
 C   -2.299800      0.7070000     -0.7770000    
 C   -3.385100      -1.450000      0.5945000    
 C    3.237300     -0.1681000      0.7994000    
 C    2.901400      -2.109400     -0.5993000    
 C   0.3541000       1.912300       1.163100    
 C    1.205800       2.075500      -1.080200    
 C   -3.683900      0.5859000     -0.6541000    
 C   -4.226500     -0.4891000      3.8500000E-02
 C    4.604300     -0.2064000      0.5243000    
 C    4.268400      -2.147600     -0.8743000    
 C   0.8016000       3.207300       1.369600    
 C    1.615300       3.363200     -0.7734000    
 C    5.119800      -1.196000     -0.3125000    
 C   -6.377600      0.4067000     -0.4369000    
 H   0.8132000     -0.7582000       1.587500    
 H   0.8627000      -3.197400       1.080200    
 H   0.2050000      -2.866000     -0.5257000    
 H   -1.083300      -2.245600       2.164600    
 H   -1.612300      -3.405300      0.9382000    
 H   -1.904700       1.552500      -1.335500    
 H   -3.819100      -2.293500       1.127700    
 H  -0.1982000      -1.180400      -1.994900    
 H    2.865300      0.5927000       1.477400    
 H    2.274800      -2.856200      -1.073900    
 H  -0.1466000       1.377500       1.962200    
 H    1.399700       1.683900      -2.071500    
 H   -4.275600       1.363900      -1.124100    
 H    5.268200      0.5305000      0.9668000    
 H    4.669900      -2.915200      -1.529300    
 H   0.6611000       3.697300       2.327400    
 H    2.121800       3.975900      -1.511900    
 H    6.184200      -1.226100     -0.5264000    
 H   -7.424000      0.1538000     -0.2365000    
 H   -6.255100      0.4226000      -1.525200    
 H   -6.193000       1.386900      1.5699999E-02


%chk=000021267-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021267

0 1
O 0.329132 -0.642693 -1.780629
O -5.655799 -0.710770 0.244482
N 1.647884 3.925745 0.095179
C 0.879269 -1.093400 0.563267
C 0.058566 -0.152672 -0.394558
C 0.264191 -2.513607 0.534676
C -1.453708 -0.266271 -0.143034
C -1.164241 -2.494617 1.111222
C -2.032722 -1.399569 0.503129
C 2.381446 -1.092624 0.284224
C 0.578887 1.287447 -0.248651
C -2.314601 0.732620 -0.664305
C -3.436102 -1.493672 0.605511
C 3.267239 -0.467108 1.198384
C 2.932885 -1.733399 -0.856974
C 0.243498 2.077295 0.880351
C 1.465648 1.848179 -1.195821
C -3.717851 0.640329 -0.565594
C -4.281377 -0.489764 0.077805
C 4.664260 -0.475207 0.985436
C 4.328390 -1.744577 -1.072673
C 0.793959 3.370700 1.008788
C 1.965952 3.153753 -0.986841
C 5.201441 -1.116854 -0.153298
C -6.574301 0.300284 -0.287218
H 0.731470 -0.681616 1.583343
H 0.899627 -3.200448 1.122966
H 0.251590 -2.879927 -0.507703
H -1.106669 -2.331136 2.208451
H -1.652878 -3.477457 0.972333
H -1.878673 1.616763 -1.144464
H -3.901373 -2.355409 1.096590
H -0.479744 -0.458327 -2.323449
H 2.858383 0.036167 2.083861
H 2.263956 -2.200974 -1.585005
H -0.448405 1.702683 1.642969
H 1.760328 1.264375 -2.071561
H -4.344429 1.436056 -0.978144
H 5.328881 0.017818 1.704020
H 4.736038 -2.241149 -1.960985
H 0.546391 4.000885 1.871148
H 2.655171 3.608342 -1.707793
H 6.284257 -1.127352 -0.322472
H -7.580625 -0.073686 -0.048958
H -6.465172 0.406035 -1.384050
H -6.416072 1.282510 0.198747


