%chk=000015933.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015933

0 1
 O    3.411000       1.905100      0.9845000    
 O   0.2436000     -0.5290000      -1.483900    
 O    4.374800      -2.303900     -0.5682000    
 N    3.854100     -0.2368000      0.2926000    
 N    2.272200      -1.452400     -0.9409000    
 N   -3.637100     -0.1828000     -4.3400001E-02
 C    1.531800      0.5534000      0.2623000    
 C   0.8191000       1.861000     -0.1127000    
 C   0.9334000      5.2999998E-03   1.570200    
 C    3.006800      0.8352000      0.5296000    
 C    1.278000     -0.4932000     -0.8180000    
 C    1.405300       2.458300      -1.373700    
 C    3.552300      -1.401800     -0.4022000    
 C  -0.4865000     -0.2924000       1.399400    
 C   -3.080000     -0.8509000       1.125700    
 C   -3.495300       1.269700      7.5499997E-02
 C   -5.045700     -0.5417000     -0.2207000    
 C   -1.654800     -0.5424000       1.274700    
 C   -4.072500       1.978800      -1.137700    
 C   -5.210500      -2.039600     -0.4133000    
 H   0.8995000       2.596000      0.6982000    
 H  -0.2493000       1.709500     -0.2914000    
 H    1.066600      0.7282000       2.385300    
 H    1.456900     -0.9070000       1.884400    
 H    2.458400       2.731600      -1.263800    
 H    1.315900       1.789800      -2.234900    
 H   0.8651000       3.377600      -1.626500    
 H    4.819800     -0.1264000      0.5891000    
 H    2.071800      -2.238100      -1.553500    
 H   -3.139500      -1.940100       1.031700    
 H   -3.618400     -0.5742000       2.041300    
 H   -3.981400       1.651500      0.9828000    
 H   -2.442300       1.558100      0.1284000    
 H   -5.664500     -0.2046000      0.6205000    
 H   -5.452300     -9.1300003E-02  -1.131600    
 H   -3.731000       1.526900      -2.075200    
 H   -5.166500       2.006100      -1.128600    
 H   -3.738700       3.022900      -1.141700    
 H   -4.507100      -2.434400      -1.154700    
 H   -5.094500      -2.597600      0.5208000    
 H   -6.221700      -2.253100     -0.7782000    


%chk=000015933-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015933

0 1
O 3.216290 2.394461 0.238117
O 1.075481 -1.737708 -1.070889
O 5.073777 -1.734868 1.289941
N 4.090492 0.320680 0.764505
N 2.995384 -1.698581 0.215397
N -4.112721 0.170961 0.221076
C 1.765943 0.453361 -0.179274
C 1.174237 1.146703 -1.437660
C 0.783807 0.663789 1.068607
C 3.069994 1.145360 0.254770
C 1.901959 -1.059199 -0.413866
C 2.071604 1.047811 -2.688272
C 4.116980 -1.086986 0.798602
C -0.570680 0.142981 0.866279
C -3.060686 -0.849785 0.494815
C -4.288528 1.096961 1.376314
C -5.384973 -0.479467 -0.197869
C -1.717972 -0.279332 0.703472
C -5.041893 2.388299 1.008582
C -5.321436 -1.101141 -1.606376
H 1.003782 2.208142 -1.181887
H 0.193447 0.681095 -1.635612
H 0.749171 1.757144 1.241244
H 1.238359 0.206345 1.970353
H 3.051300 1.533828 -2.527281
H 2.238269 -0.003459 -2.985315
H 1.587096 1.557448 -3.539799
H 4.925702 0.787589 1.133368
H 3.030334 -2.721592 0.153909
H -3.006278 -1.532502 -0.372851
H -3.322372 -1.484444 1.383805
H -4.800878 0.585987 2.233303
H -3.275620 1.368370 1.726261
H -5.709915 -1.255282 0.545242
H -6.166135 0.300327 -0.200452
H -4.539433 2.890286 0.163612
H -6.092385 2.200500 0.722514
H -5.053954 3.078284 1.872549
H -4.982354 -0.346314 -2.336869
H -4.635355 -1.965547 -1.661882
H -6.323040 -1.459206 -1.908285


