%chk=000033930.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033930

0 1
 O    3.994200      0.3625000     -4.4700000E-02
 N   -3.134300     -0.7221000     -0.3408000    
 N    1.951500     -0.8126000     -5.5000000E-03
 C  -0.8419000      -1.530300      8.8000000E-03
 C   -2.314700      -1.689400      0.3993000    
 C  -0.3807000     -9.6400000E-02  3.7300002E-02
 C   -2.800700      0.6516000      7.5400002E-02
 C   -1.319600      0.9493000      2.4000000E-02
 C   0.9882000      0.2008000      1.6400000E-02
 C  -0.8735000       2.277900      2.7799999E-02
 C   -4.558400     -0.9845000     -0.1366000    
 C    1.421300       1.526300      8.6000003E-03
 C   0.4916000       2.563700      1.6799999E-02
 C    3.344000     -0.6777000     -3.5100002E-02
 C    4.033100      -2.019200     -5.1600002E-02
 H  -0.6855000      -1.926200      -1.002600    
 H  -0.2611000      -2.138300      0.7118000    
 H   -2.621000      -2.715900      0.1626000    
 H   -2.437900      -1.556100       1.482900    
 H   -3.145900      0.8423000       1.100600    
 H   -3.318700       1.351300     -0.5924000    
 H   -1.588400       3.096600      3.9700001E-02
 H   -4.819700      -1.985400     -0.4975000    
 H   -5.166100     -0.2757000     -0.7101000    
 H   -4.846800     -0.9124000      0.9183000    
 H    2.454100       1.841100     -2.3000001E-03
 H   0.8280000       3.596600      1.5799999E-02
 H    1.603200      -1.766500     -1.6700000E-02
 H    3.767900      -2.582900      0.8473000    
 H    5.117300      -1.878600     -7.5300001E-02
 H    3.728900      -2.581100     -0.9391000    


%chk=000033930-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033930

0 1
O 4.042801 0.335841 0.019035
N -3.122584 -0.739694 -0.296432
N 1.973313 -0.787576 -0.034167
C -0.809088 -1.524574 0.072465
C -2.286535 -1.674377 0.483592
C -0.361117 -0.065508 0.052025
C -2.818361 0.660198 0.066365
C -1.326459 0.970439 0.050692
C 1.028583 0.281523 0.016980
C -0.915044 2.325720 0.050533
C -4.564383 -1.029631 -0.198649
C 1.436422 1.639296 0.023030
C 0.455021 2.652263 0.044807
C 3.370416 -0.734803 -0.035264
C 4.030710 -2.114706 -0.109710
H -0.678481 -1.973194 -0.934070
H -0.198666 -2.117549 0.787196
H -2.626339 -2.706601 0.281452
H -2.388686 -1.498255 1.587051
H -3.223066 0.907120 1.086746
H -3.337067 1.327735 -0.647832
H -1.671508 3.119901 0.049564
H -4.761734 -2.062034 -0.537646
H -5.126775 -0.341900 -0.855783
H -4.969421 -0.919844 0.840162
H 2.500888 1.877144 0.007043
H 0.769773 3.701599 0.045582
H 1.572271 -1.725663 -0.087575
H 3.758942 -2.739190 0.761881
H 5.121545 -1.978825 -0.118872
H 3.733028 -2.656153 -1.027100


