%chk=000050536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050536

0 1
 O    1.430700       2.665000       1.556400    
 O   0.3277000       3.275800     -0.3237000    
 O    5.085300      -2.145400     -0.1372000    
 O   -4.323700     -0.3109000      0.8565000    
 O   -3.963400      -2.170600     -0.4626000    
 N  -0.4663000      0.7449000     -0.9062000    
 C   0.3725000      0.9325000      0.2467000    
 C    1.634900      0.1080000      0.1437000    
 C    1.879700     -0.8762000       1.086600    
 C    2.521500      0.3533000     -0.8916000    
 C   -1.730300      0.2272000     -0.8383000    
 C   0.6832000       2.399800      0.4576000    
 C    3.045000      -1.637000      0.9917000    
 C    3.686700     -0.4076000     -0.9867000    
 C    3.948400      -1.402900     -4.5100000E-02
 C   -2.663300      0.7014000      -1.923500    
 C   -2.186900     -0.6379000      8.6400002E-02
 C   -3.575200      -1.160700      0.1016000    
 C   -5.706200     -0.6589000      0.9876000    
 H  -0.1656000      0.6576000       1.163600    
 H  -0.2355000       1.266400      -1.747000    
 H    1.184100      -1.069100       1.898200    
 H    2.331200       1.125300      -1.631600    
 H    3.237200      -2.409300       1.731600    
 H    4.386800     -0.2203000      -1.796300    
 H   -2.751300       1.793400      -1.886100    
 H   -2.260400      0.4289000      -2.905700    
 H   -3.677500      0.2979000      -1.872000    
 H   -1.550900      -1.029200      0.8734000    
 H    1.628800       3.621800       1.642800    
 H    5.103900      -2.785400      0.5950000    
 H   -5.806800      -1.633900       1.473900    
 H   -6.189400     -0.6642000      5.9000002E-03
 H   -6.189100      9.6900001E-02   1.612700    


%chk=000050536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050536

0 1
O 2.078885 3.013115 1.439209
O 1.246309 3.597183 -0.650690
O 4.046773 -2.933286 -0.392244
O -4.172900 -0.922600 -0.228897
O -3.052234 -2.013026 1.500030
N -0.623770 1.612743 -0.524526
C 0.465900 1.516348 0.444170
C 1.409497 0.313516 0.241355
C 1.902225 -0.404393 1.354003
C 1.813007 -0.069455 -1.061819
C -1.770777 0.830143 -0.519054
C 1.277500 2.812654 0.324908
C 2.783255 -1.491729 1.176854
C 2.691485 -1.151253 -1.254558
C 3.176631 -1.862858 -0.131982
C -2.769207 1.246959 -1.582093
C -1.927335 -0.200825 0.397208
C -3.046705 -1.108535 0.616793
C -5.289213 -1.859741 0.019209
H 0.062097 1.471923 1.475894
H -0.538690 2.370533 -1.208427
H 1.598197 -0.118199 2.367707
H 1.423847 0.472222 -1.931153
H 3.150428 -2.049535 2.047830
H 3.006714 -1.462988 -2.254457
H -3.172021 2.253146 -1.357533
H -2.276017 1.294178 -2.571912
H -3.605124 0.539142 -1.627005
H -1.103864 -0.429887 1.080146
H 2.634419 3.830028 1.316813
H 4.313566 -3.386417 0.445807
H -5.649137 -1.768198 1.058133
H -4.968112 -2.901179 -0.154118
H -6.069830 -1.563128 -0.697299


