%chk=000042682.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042682

0 1
 O  -0.5801000      -2.038300      0.9351000    
 N   -2.422900      2.4800001E-02  8.9100003E-02
 C   1.0800000E-02  0.1503000     -1.6300000E-02
 C    1.356100      0.8186000      0.3803000    
 C    2.190300     -0.2805000     -0.3352000    
 C   0.1099000     -9.9999997E-05  -1.551800    
 C    1.614300     -0.2733000      -1.774400    
 C    1.733900      -1.600500      0.3342000    
 C   0.2622000      -1.273100      0.4924000    
 C   -1.266000      0.7818000      0.4837000    
 C    1.572400       2.233600     -0.1909000    
 C    1.602900      0.9160000       1.899700    
 C   -2.525500     -7.2400004E-02  -1.375400    
 C   -3.658400      0.6132000      0.6293000    
 H    3.273700     -0.1408000     -0.3069000    
 H  -0.1623000      0.9007000      -2.109200    
 H  -0.3559000     -0.8854000      -1.981000    
 H    1.791300      -1.220100      -2.296800    
 H    2.068000      0.5195000      -2.378900    
 H    2.198000      -1.753600       1.310800    
 H    1.877300      -2.472800     -0.3073000    
 H   -1.333000       1.820000      0.1326000    
 H   -1.228200      0.8258000       1.579700    
 H    2.606700       2.556200     -2.5000000E-02
 H    1.378700       2.322300      -1.262000    
 H   0.9150000       2.956700      0.3051000    
 H    2.654300       1.150200       2.100900    
 H   0.9940000       1.712700       2.342500    
 H    1.360900      2.7000001E-03   2.450000    
 H   -3.587900     -0.1580000      -1.652500    
 H   -2.154000      -1.027600      -1.744500    
 H   -2.202200      0.8160000      -1.923500    
 H   -3.604000      0.6798000       1.721800    
 H   -4.521900     -2.1500001E-02  0.4007000    
 H   -3.843600       1.617300      0.2307000    


%chk=000042682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042682

0 1
O -0.644469 -1.629060 1.745529
N -2.402749 0.575673 -0.617355
C 0.020946 0.081851 0.029691
C 1.426455 0.816583 0.202500
C 2.263309 -0.483905 -0.106547
C 0.184499 -0.580281 -1.393012
C 1.713640 -0.916460 -1.497894
C 1.709113 -1.497208 0.930004
C 0.220476 -1.094945 1.009358
C -1.241654 0.944648 0.232625
C 1.673441 1.957402 -0.810711
C 1.645880 1.394140 1.623940
C -3.334993 1.707099 -0.800849
C -3.115384 -0.636066 -0.155031
H 3.357466 -0.349554 -0.067527
H -0.156469 0.136850 -2.157851
H -0.457695 -1.470602 -1.500109
H 1.894834 -1.989617 -1.687575
H 2.196028 -0.354774 -2.316918
H 2.172018 -1.403214 1.929049
H 1.816181 -2.553397 0.622690
H -0.981686 1.988283 -0.029941
H -1.513591 0.939303 1.318464
H 2.734461 2.270066 -0.769385
H 1.444797 1.677664 -1.851841
H 1.062090 2.845037 -0.562211
H 2.685185 1.756992 1.735353
H 0.974257 2.256172 1.794864
H 1.452818 0.666252 2.431018
H -4.139714 1.410169 -1.497847
H -2.802089 2.568682 -1.242402
H -3.819110 2.048360 0.150417
H -2.412946 -1.475604 -0.040849
H -3.885718 -0.912731 -0.898111
H -3.614828 -0.493610 0.835466


