%chk=000050989.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050989

0 1
 O   -1.719300     -0.1424000      -1.004800    
 O  -0.3361000       2.217600     -0.5109000    
 N   -4.709900     -0.9755000      0.9779000    
 N   -5.969100     -0.3086000       1.073000    
 C    3.868900     -0.2448000     -0.2264000    
 C    2.392200     -0.2140000     -0.4323000    
 C    4.246400     -0.4343000       1.249400    
 C    1.705000      0.9985000     -0.3757000    
 C    1.697900      -1.398200     -0.6805000    
 C  -0.3705000     -0.1571000     -0.8156000    
 C   0.3237000       1.027000     -0.5673000    
 C   0.3166000      -1.369700     -0.8720000    
 C    5.752500     -0.4991000       1.447400    
 C   -2.510100     -0.9028000     -9.3300000E-02
 C   -3.860500     -0.2228000      6.7000002E-02
 C  -0.8276000       2.626300      0.7640000    
 H    4.308300      -1.051000     -0.8282000    
 H    4.316400      0.6824000     -0.6075000    
 H    3.840500      0.3902000       1.848200    
 H    3.796200      -1.356900       1.636100    
 H    2.241000       1.924400     -0.1813000    
 H    2.221700      -2.349400     -0.7266000    
 H  -0.2096000      -2.299200      -1.072100    
 H    5.990600     -0.6331000       2.507200    
 H    6.184600      -1.338200      0.8929000    
 H    6.232200      0.4232000       1.104700    
 H   -2.634700      -1.913400     -0.5002000    
 H   -2.014400     -0.9776000      0.8840000    
 H   -3.702500      0.7986000      0.4371000    
 H   -4.327700     -0.1249000     -0.9222000    
 H   -4.855200      -1.918800      0.6195000    
 H   6.0000001E-03   2.830200       1.443400    
 H   -1.482400       1.862800       1.194700    
 H   -1.403300       3.546200      0.6305000    
 H   -6.465800     -0.3925000      0.1864000    
 H   -6.544900     -0.7917000       1.761400    


%chk=000050989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050989

0 1
O -1.767855 0.317379 0.084046
O 0.050128 2.470633 -0.330845
N -5.082989 -1.348983 0.070810
N -6.405673 -1.002447 0.457561
C 3.938971 -0.590146 -0.288470
C 2.434087 -0.385261 -0.195725
C 4.679558 -0.270718 1.040841
C 1.877194 0.916965 -0.267479
C 1.550780 -1.471301 0.006265
C -0.389521 0.033789 0.031997
C 0.491119 1.144770 -0.152809
C 0.156413 -1.267794 0.121404
C 6.205678 -0.471353 0.928107
C -2.694447 -0.822225 0.172897
C -4.112397 -0.235810 0.163459
C -0.842569 3.038166 0.699911
H 4.159997 -1.637873 -0.572794
H 4.362227 0.051942 -1.086985
H 4.456800 0.773621 1.335919
H 4.271087 -0.914540 1.844534
H 2.515809 1.793512 -0.426192
H 1.950155 -2.490486 0.069765
H -0.499786 -2.131459 0.264997
H 6.713909 -0.243930 1.883088
H 6.450091 -1.515608 0.655115
H 6.636498 0.187168 0.150035
H -2.535174 -1.497119 -0.695785
H -2.523118 -1.395937 1.104232
H -4.315705 0.292847 1.108328
H -4.191065 0.507237 -0.664287
H -5.023039 -1.846444 -0.832733
H -0.349394 3.017272 1.691662
H -1.798026 2.490579 0.743287
H -1.006965 4.081175 0.388044
H -7.013677 -0.563236 -0.244074
H -6.852001 -1.702985 1.049778


