%chk=000039689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039689

0 1
 O   0.1346000       1.448000       1.465000    
 N    3.784800      0.1599000     -0.6320000    
 N    1.543500      0.9954000     -0.3119000    
 N  -0.4501000     -8.6300001E-02 -0.1794000    
 C    3.938200      -1.169500       1.263800    
 C    4.595500     -0.9183000     -9.4700001E-02
 C    2.464700     -0.8092000       1.064500    
 C    2.544600      0.2289000     -3.4100000E-02
 C    4.174900      0.8384000      -1.842900    
 C   -1.862700     -0.1472000     -0.1564000    
 C   0.3851000      0.8438000      0.4254000    
 C   -2.494300      -1.379500     -0.2446000    
 C   -2.594800       1.026400     -4.6799999E-02
 C   -3.887800      -1.439500     -0.2231000    
 C   -3.988300      0.9663000     -2.5200000E-02
 C   -1.721900      -2.653300     -0.3638000    
 C   -1.931400       2.362100      4.9300000E-02
 C   -4.634600     -0.2667000     -0.1133000    
 H    4.377900     -0.4981000       2.012300    
 H    4.077700      -2.196500       1.613200    
 H    5.647200     -0.6369000      1.4500000E-02
 H    4.519900      -1.803200     -0.7358000    
 H    2.028200     -0.4273000       1.990000    
 H    1.895100      -1.672700      0.7063000    
 H    5.264900      0.9014000      -1.923900    
 H    3.780700       1.859500      -1.862300    
 H    3.794000      0.3022000      -2.717500    
 H   1.3200000E-02 -0.8126000     -0.7190000    
 H   -4.407800      -2.391400     -0.2917000    
 H   -4.584900       1.870500      6.2799998E-02
 H   -2.374000      -3.531400     -0.2999000    
 H  -0.9901000      -2.740400      0.4465000    
 H   -1.204400      -2.697100      -1.327700    
 H   -1.731300       2.643600       1.085400    
 H   -1.065600       2.477500     -0.6071000    
 H   -2.626700       3.128800     -0.3214000    
 H   -5.719600     -0.3134000     -9.5899999E-02


%chk=000039689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039689

0 1
O 0.190270 -0.134107 1.471529
N 3.912205 -0.390344 -0.552628
N 1.561579 -0.310333 -0.511092
N -0.719353 -0.168027 -0.703480
C 4.564980 0.330988 1.617214
C 5.102753 -0.333803 0.321912
C 3.040213 0.039107 1.598984
C 2.721779 -0.223927 0.124523
C 4.007372 -0.747140 -1.966308
C -2.118479 -0.129991 -0.406216
C 0.343015 -0.187397 0.207672
C -2.947941 -1.131812 -0.998956
C -2.676312 0.903726 0.404038
C -4.339530 -1.101272 -0.751641
C -4.073918 0.883660 0.641881
C -2.343413 -2.220550 -1.868737
C -1.829112 2.023081 0.971266
C -4.904103 -0.105785 0.075630
H 4.741488 1.420172 1.579915
H 5.061476 -0.062771 2.518914
H 5.907164 0.252629 -0.159607
H 5.493276 -1.356674 0.508042
H 2.418685 0.855256 1.996206
H 2.764502 -0.856436 2.185210
H 4.641523 -0.022705 -2.511519
H 2.988298 -0.733591 -2.383729
H 4.439422 -1.759345 -2.094856
H -0.429260 -0.368317 -1.663657
H -4.978429 -1.871720 -1.199544
H -4.511478 1.671192 1.266974
H -3.097271 -2.987038 -2.115365
H -1.497046 -2.718810 -1.360394
H -1.956673 -1.823759 -2.829771
H -1.216156 1.656781 1.814723
H -1.121751 2.410632 0.214034
H -2.462833 2.857397 1.318243
H -5.982541 -0.096766 0.269192


