%chk=000031057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031057

0 1
 O   0.4554000     -7.6899998E-02 -0.3814000    
 O   -5.650900       1.169900      0.1170000    
 N    1.039000      -2.719200     -0.2620000    
 N  -0.2556000      -2.329300     -0.1774000    
 C    2.088400      -1.792800      0.1912000    
 C    1.815000     -0.5025000     -0.5990000    
 C    2.787600      0.6206000     -0.3006000    
 C    2.083200      -1.606300       1.716100    
 C  -0.4803000      -1.053100     -0.2404000    
 C    1.299100      -4.107900      9.7499996E-02
 C    2.513700       1.527600      0.7237000    
 C    3.957900      0.7483000      -1.049500    
 C   -1.839800     -0.4687000     -0.1459000    
 C    3.409000       2.561300      0.9987000    
 C    4.853200       1.782000     -0.7744000    
 C   -2.952400      -1.298600      1.8700000E-02
 C   -2.016900      0.9159000     -0.2212000    
 C    4.578700       2.688400      0.2497000    
 C   -4.231300     -0.7486000      0.1073000    
 C   -3.295700       1.465900     -0.1325000    
 C   -4.402900      0.6336000      3.1800002E-02
 C   -5.754500       2.590500      3.2400001E-02
 H    3.074900      -2.174300     -0.1038000    
 H    1.883800     -0.7090000      -1.677300    
 H    1.152900      -1.158600       2.080100    
 H    2.217200      -2.562400       2.232600    
 H    2.913400     -0.9681000       2.035000    
 H    2.325900      -4.399700     -0.1475000    
 H   0.6386000      -4.773000     -0.4703000    
 H    1.122800      -4.294000       1.161800    
 H    1.611100       1.445700       1.323000    
 H    4.184500      4.6999998E-02  -1.848200    
 H    3.196000       3.266400       1.796800    
 H    5.764500       1.880700      -1.357000    
 H   -2.846800      -2.378500      8.0700003E-02
 H   -1.182500       1.600200     -0.3491000    
 H    5.276100       3.492900      0.4641000    
 H   -5.090200      -1.401900      0.2349000    
 H   -3.357700       2.546800     -0.1989000    
 H   -5.240100       3.081800      0.8653000    
 H   -6.816400       2.842900      0.1192000    
 H   -5.416300       2.961300     -0.9411000    


%chk=000031057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031057

0 1
O 0.522753 0.067271 -0.170729
O -5.845960 1.039087 0.076545
N 1.064083 -2.696883 -0.265614
N -0.259179 -2.238456 -0.192178
C 2.137443 -1.772474 0.184369
C 1.863718 -0.426559 -0.562684
C 2.881974 0.661399 -0.278739
C 2.207491 -1.604451 1.721216
C -0.490059 -0.940304 -0.153939
C 1.194788 -4.127140 0.030900
C 2.626107 1.700597 0.647945
C 4.132365 0.619662 -0.945082
C -1.855850 -0.396825 -0.100241
C 3.611437 2.679819 0.907835
C 5.119810 1.593693 -0.680119
C -2.976760 -1.271375 0.014398
C -2.089401 1.001091 -0.154869
C 4.861930 2.628249 0.249689
C -4.281156 -0.762439 0.066857
C -3.400358 1.524014 -0.098084
C -4.500871 0.640019 0.012730
C -6.126350 2.474813 0.025601
H 3.097467 -2.178994 -0.188377
H 1.840192 -0.653108 -1.647119
H 1.273361 -1.167771 2.115041
H 2.367032 -2.581998 2.209518
H 3.043256 -0.940736 2.001284
H 2.191356 -4.473999 -0.294764
H 0.424079 -4.673041 -0.535709
H 1.067354 -4.367633 1.109195
H 1.652602 1.739376 1.145577
H 4.332725 -0.170222 -1.680731
H 3.402603 3.483797 1.622694
H 6.081870 1.552139 -1.202986
H -2.797048 -2.349604 0.057500
H -1.236624 1.679054 -0.250940
H 5.624315 3.388675 0.452804
H -5.147870 -1.425114 0.151982
H -3.546610 2.607374 -0.144230
H -5.662744 3.006756 0.879531
H -7.221504 2.557032 0.088173
H -5.772168 2.921513 -0.924153


