%chk=000040216.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040216

0 1
 O   -5.880200     -0.6078000     -0.4511000    
 O   0.3509000     -0.3963000      0.9887000    
 O   0.5471000       2.549900     -0.5969000    
 O    1.489100       2.752400       1.493800    
 N   -3.175900      0.1218000      5.4800000E-02
 C   -3.550500      -1.260700     -0.2735000    
 C   -4.293300      0.8004000      0.7259000    
 C   -1.975600      0.1502000      0.8880000    
 C   -4.811400      -1.265100      -1.133000    
 C   -5.537200      0.7468000     -0.1565000    
 C  -0.7951000     -0.4605000      0.1499000    
 C    1.696000      -2.813700      0.3491000    
 C    2.259700      -1.467000      3.5599999E-02
 C    1.568200     -0.3049000      0.3657000    
 C    2.105900      0.9440000      6.7699999E-02
 C    3.499300      -1.379300     -0.5979000    
 C    3.345500       1.031500     -0.5661000    
 C    1.435700      -3.650400     -0.9169000    
 C    2.580600      -3.606700       1.328600    
 C    4.042100     -0.1301000     -0.8989000    
 C    3.952100       2.355200     -0.9013000    
 C    1.374100       2.156700      0.4175000    
 C  -0.2269000       3.733400     -0.3731000    
 H   -2.783900      -1.770700     -0.8623000    
 H   -3.728000      -1.838800      0.6426000    
 H   -4.508100      0.3182000       1.688500    
 H   -4.040400       1.849100      0.9198000    
 H   -2.128300     -0.3714000       1.842400    
 H   -1.721500       1.185700       1.148000    
 H   -4.642900     -0.7804000      -2.102600    
 H   -5.126500      -2.295100      -1.328500    
 H   -5.393400       1.300000      -1.092700    
 H   -6.385600       1.198300      0.3676000    
 H  -0.6243000      6.6200003E-02 -0.7978000    
 H  -0.9535000      -1.517600     -7.4400000E-02
 H   0.7296000      -2.718900      0.8552000    
 H    4.060900      -2.269500     -0.8671000    
 H   0.7862000      -3.109000      -1.613800    
 H   0.9395000      -4.592300     -0.6588000    
 H    2.363000      -3.897600      -1.444500    
 H    2.756400      -3.033400       2.245600    
 H    2.095100      -4.548000       1.608900    
 H    3.555600      -3.853100      0.8948000    
 H    5.008800     -8.0399998E-02  -1.393000    
 H    4.098500       2.951600      5.2999998E-03
 H    4.932200       2.245400      -1.378300    
 H    3.311400       2.905800      -1.598000    
 H  -0.8574000       3.898300      -1.250600    
 H  -0.8696000       3.606300      0.5030000    
 H   0.4344000       4.595400     -0.2458000    


%chk=000040216-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040216

0 1
O -6.038176 -0.958274 -0.475496
O 0.367681 0.042486 0.819329
O 0.531902 2.664379 -0.402335
O 2.325659 3.354070 0.901235
N -3.304144 -0.158219 0.107713
C -3.634753 -1.554775 -0.280858
C -4.458064 0.459349 0.812680
C -2.038155 -0.046450 0.869048
C -4.890970 -1.568958 -1.167452
C -5.702325 0.422744 -0.089396
C -0.820069 -0.094759 -0.062530
C 1.448575 -2.639840 0.341896
C 2.184928 -1.357547 -0.054640
C 1.626245 -0.070344 0.173988
C 2.355234 1.118811 -0.108530
C 3.482944 -1.409311 -0.616636
C 3.676713 1.045717 -0.641337
C 1.141312 -3.530718 -0.891387
C 2.249808 -3.432724 1.409558
C 4.210076 -0.237576 -0.908182
C 4.497363 2.289811 -0.932685
C 1.774274 2.463014 0.212309
C -0.114847 3.966901 -0.107529
H -2.790279 -1.993470 -0.844012
H -3.814407 -2.193033 0.621576
H -4.688900 -0.071047 1.770810
H -4.210816 1.510327 1.054424
H -1.936305 -0.837476 1.651927
H -2.024489 0.927401 1.391642
H -4.684267 -1.017320 -2.109837
H -5.202944 -2.600555 -1.400207
H -5.517651 1.031615 -1.000836
H -6.590608 0.805184 0.440169
H -0.840218 0.744471 -0.778316
H -0.761678 -1.051996 -0.619123
H 0.491005 -2.345103 0.808941
H 3.942220 -2.386074 -0.810344
H 0.548262 -2.984486 -1.648092
H 0.574003 -4.430394 -0.588295
H 2.073385 -3.870147 -1.380711
H 2.447116 -2.809701 2.299860
H 1.683822 -4.327187 1.730230
H 3.223205 -3.774294 1.010834
H 5.215910 -0.314649 -1.336062
H 4.704513 2.853580 -0.006550
H 5.456616 2.020255 -1.405484
H 3.965586 2.982698 -1.611254
H -1.057973 3.944989 -0.671733
H -0.297572 4.064848 0.975793
H 0.529653 4.797677 -0.440508


