%chk=000046163.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046163

0 1
 O   -1.967800       3.178600      -1.394100    
 O   0.2654000       1.817200     -0.3655000    
 O    5.011900      -1.808700     -0.1950000    
 N   -2.563700     -0.3280000     -0.3467000    
 C   -3.716200     -7.8800000E-02  0.5306000    
 C   -2.748500      -1.557600      -1.130000    
 C   -3.935500      -1.243300       1.497500    
 C   -2.936000      -2.770600     -0.2172000    
 C   -4.095500      -2.562400      0.7501000    
 C   -2.338700      0.8141000      -1.232400    
 C   -2.115900       2.112000     -0.4525000    
 C  -0.8791000       2.074000      0.4423000    
 C    1.304500       1.155500      0.2325000    
 C    2.130800      0.3371000     -0.5302000    
 C    1.524100       1.307800       1.597300    
 C    3.189100     -0.3369000      7.9200000E-02
 C    2.582400      0.6339000       2.206700    
 C    3.414800     -0.1885000       1.447700    
 C    4.057500      -1.194300     -0.7119000    
 C    3.816600      -1.361200      -2.208400    
 H   -4.628300      9.3800001E-02 -5.5500001E-02
 H   -3.563700      0.7919000       1.173400    
 H   -1.865200      -1.735300      -1.755400    
 H   -3.611800      -1.467300      -1.802600    
 H   -4.825700      -1.055800       2.108600    
 H   -3.083900      -1.315200       2.186300    
 H   -2.013800      -2.948800      0.3505000    
 H   -3.116300      -3.665600     -0.8232000    
 H   -4.146700      -3.394200       1.461100    
 H   -5.040400      -2.555100      0.1929000    
 H   -1.471900      0.6270000      -1.879900    
 H   -3.187800      0.9494000      -1.917200    
 H   -2.985800       2.394500      0.1460000    
 H   -1.025500       1.311200       1.216600    
 H  -0.7443000       3.053200      0.9171000    
 H   -2.783300       3.220300      -1.922200    
 H    1.922600      0.2465000      -1.592000    
 H   0.9191000       1.961300       2.218400    
 H    2.762700      0.7548000       3.271000    
 H    4.233500     -0.7017000       1.945100    
 H    3.917600     -0.3991000      -2.717300    
 H    2.832400      -1.802100      -2.386100    
 H    4.570300      -2.041000      -2.618500    


%chk=000046163-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046163

0 1
O -1.671773 3.171286 -1.174715
O 0.204300 1.080385 -0.306315
O 5.790187 -1.245167 -0.594413
N -3.049705 -0.227277 -0.198042
C -4.488596 -0.064370 0.127353
C -2.732300 -1.607709 -0.645910
C -4.926218 -1.048545 1.231370
C -3.116218 -2.636429 0.437428
C -4.608796 -2.504045 0.818464
C -2.533265 0.827356 -1.095974
C -2.030190 2.050325 -0.291059
C -0.797236 1.734653 0.551437
C 1.428970 0.731215 0.271537
C 2.369027 0.147061 -0.611831
C 1.759784 0.921044 1.637383
C 3.639667 -0.255572 -0.138492
C 3.034600 0.516931 2.103175
C 3.971665 -0.067795 1.233653
C 4.665180 -0.879647 -1.046838
C 4.329933 -1.065101 -2.523871
H -5.123892 -0.231932 -0.783846
H -4.664145 0.977002 0.457675
H -1.647908 -1.659963 -0.853223
H -3.271892 -1.861924 -1.596511
H -6.008914 -0.924313 1.426163
H -4.385852 -0.802121 2.165972
H -2.488774 -2.459931 1.332630
H -2.895861 -3.656693 0.069025
H -4.863422 -3.203423 1.636891
H -5.236787 -2.783606 -0.053088
H -1.684389 0.436085 -1.681692
H -3.311313 1.172438 -1.825063
H -2.827222 2.370068 0.418105
H -1.093476 1.048253 1.368360
H -0.382619 2.675151 0.963680
H -2.397100 3.304836 -1.836751
H 2.079252 0.027074 -1.659947
H 1.047467 1.372637 2.333615
H 3.286931 0.665612 3.158941
H 4.960286 -0.385636 1.578039
H 4.097276 -0.095835 -3.002775
H 3.445515 -1.716964 -2.651207
H 5.191826 -1.522815 -3.032235


