%chk=000029083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029083

0 1
 O   0.6443000      -1.620300      0.1317000    
 O   -1.467800      -2.331300     -0.3068000    
 O   -3.054800      3.7200000E-02   1.386200    
 N   -1.037400     -5.5300001E-02 -0.5231000    
 N   -4.286100       1.409200      1.2400000E-02
 C  -0.1637000       1.080200     -0.2454000    
 C    1.271900      0.7098000     -0.1096000    
 C    1.625400     -0.6160000      9.6199997E-02
 C   -2.397500      0.2664000     -0.9331000    
 C  -0.6905000      -1.379100     -0.2399000    
 C    2.280400       1.678100     -0.1268000    
 C    2.952400      -1.002900      0.2766000    
 C    3.616200       1.307000      4.6799999E-02
 C    3.951300     -3.2600001E-02  0.2485000    
 C   -3.244100      0.5496000      0.2864000    
 H  -0.5099000       1.548400      0.6829000    
 H  -0.2750000       1.796400      -1.068000    
 H   -2.378500       1.119100      -1.619500    
 H   -2.841800     -0.5874000      -1.456300    
 H    2.032800       2.726600     -0.2718000    
 H    3.210900      -2.045400      0.4361000    
 H    4.395100       2.063900      2.9700000E-02
 H    4.990200     -0.3175000      0.3858000    
 H   -4.944300       1.676700      0.7368000    
 H   -4.438100       1.806700     -0.9091000    


%chk=000029083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029083

0 1
O 0.279427 -1.442451 -0.047825
O -1.908047 -1.745168 -0.676488
O -3.690644 2.336845 0.409684
N -1.064742 0.434845 -0.653838
N -3.921406 0.010493 0.487956
C -0.093681 1.410115 -0.094726
C 1.293700 0.807060 -0.025066
C 1.424954 -0.596390 0.001346
C -2.356819 0.965251 -1.147475
C -0.969133 -0.931501 -0.473504
C 2.466846 1.591002 0.048415
C 2.675881 -1.232973 0.105958
C 3.734475 0.977370 0.158538
C 3.836612 -0.434548 0.188590
C -3.390601 1.179988 -0.010818
H -0.432784 1.743980 0.909333
H -0.096169 2.302358 -0.746623
H -2.175017 1.944900 -1.616951
H -2.754098 0.262311 -1.898743
H 2.386468 2.684319 0.024600
H 2.720755 -2.325586 0.120005
H 4.636559 1.594538 0.218489
H 4.817514 -0.913726 0.272039
H -4.588514 0.060890 1.258063
H -3.590137 -0.896422 0.135739


