%chk=000019739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019739

0 1
 O  -0.8899000       1.945500     -0.3373000    
 O    1.764500      0.5751000      -1.842300    
 O    4.671000     -0.3791000       1.404200    
 N    2.228300      0.7651000      0.4217000    
 C   -3.442400      0.8614000      0.2718000    
 C   -2.223300      1.5300000E-02  0.1049000    
 C  -0.9891000      0.5916000     -0.1958000    
 C   0.1385000     -0.2152000     -0.3490000    
 C   3.1700000E-02  -1.598200     -0.2015000    
 C   -2.330100      -1.367600      0.2525000    
 C   -4.034600      0.7646000       1.689700    
 C   -4.527600      0.5401000     -0.7723000    
 C   -1.202600      -2.174300      9.9299997E-02
 C    1.428000      0.3916000     -0.6615000    
 C    1.221300      -2.488500     -0.3592000    
 C    3.519300       1.398200      0.2758000    
 C    4.637000      0.3743000      0.1990000    
 H   -3.210100       1.923000      0.1417000    
 H   -3.280200      -1.839700      0.4866000    
 H   -4.409300     -0.2406000       1.910900    
 H   -4.871000       1.462700       1.805600    
 H   -3.280700       1.015600       2.444200    
 H   -4.128600      0.6336000      -1.788500    
 H   -5.369600       1.234400     -0.6773000    
 H   -4.921100     -0.4755000     -0.6575000    
 H   -1.303600      -3.249900      0.2182000    
 H    1.675700      -2.354900      -1.346400    
 H    1.965600      -2.274300      0.4147000    
 H   0.9526000      -3.546800     -0.2695000    
 H    1.891300      0.5869000       1.363600    
 H    3.650400       2.039600       1.153400    
 H    3.516300       2.025000     -0.6215000    
 H   -1.617000       2.251100     -0.9052000    
 H    5.604400      0.8710000      8.1000000E-02
 H    4.497200     -0.3177000     -0.6378000    
 H    3.807500     -0.8162000       1.499200    


%chk=000019739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019739

0 1
O -0.453738 1.595914 0.148759
O 2.602068 -0.987831 -1.088560
O 3.895886 1.305106 2.331166
N 2.076693 0.984320 -0.009945
C -3.247992 0.904125 0.284392
C -2.172727 -0.121664 -0.101675
C -0.799380 0.248336 -0.143474
C 0.259568 -0.660641 -0.456766
C -0.094352 -2.030698 -0.713433
C -2.477983 -1.470955 -0.376216
C -3.262565 1.132998 1.826010
C -4.664647 0.533184 -0.211909
C -1.460860 -2.400142 -0.664627
C 1.716785 -0.242230 -0.549748
C 0.911850 -3.123459 -1.030133
C 3.463511 1.469479 -0.119560
C 4.363016 0.900166 0.996704
H -3.011203 1.878863 -0.207652
H -3.520028 -1.804823 -0.361571
H -3.575740 0.204936 2.337322
H -3.976601 1.932209 2.098108
H -2.266887 1.406469 2.220840
H -4.677411 0.337867 -1.298830
H -5.367060 1.359206 0.000184
H -5.048356 -0.364358 0.306546
H -1.726955 -3.444107 -0.861696
H 1.413042 -2.943213 -1.995568
H 1.725803 -3.165607 -0.287114
H 0.399932 -4.101626 -1.062024
H 1.323351 1.618787 0.278691
H 3.443740 2.571528 -0.047159
H 3.877538 1.173243 -1.101711
H -1.263102 2.158003 0.223316
H 5.380793 1.315284 0.909827
H 4.412373 -0.202688 0.905363
H 2.971437 0.961217 2.437544


