%chk=000128824.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128824

0 1
 O   -1.634900      1.4100000E-02   1.119500    
 O   -2.111500      8.5800000E-02  -1.847900    
 O  -0.1589000      -1.826500      -1.597000    
 O   -4.969800      0.2946000     -0.3593000    
 O    2.217400      -2.059300       1.085200    
 N   0.5295000      0.2679000      0.1598000    
 N    1.415500       2.161300     -0.6406000    
 N    3.723300       1.444600     -0.3936000    
 N    4.053900     -0.7817000      0.5178000    
 C   -2.824100     -0.4273000      0.4306000    
 C   -2.351600     -0.9608000     -0.9173000    
 C   -1.042200      -1.611900     -0.5186000    
 C  -0.4982000     -0.6884000      0.5739000    
 C   -3.823400      0.7130000      0.3768000    
 C    1.885300      0.1000000      0.2006000    
 C   -4.247200       1.131400       1.777100    
 C   0.2984000       1.522200     -0.3533000    
 C    2.392400       1.276800     -0.2960000    
 C    2.684000      -1.015400      0.6441000    
 C    4.462000      0.3595000      3.8199998E-02
 H   -3.235600      -1.265000       1.010300    
 H   -3.049700      -1.668400      -1.374900    
 H   -1.259700      -2.586200     -6.1500002E-02
 H  -7.3799998E-02  -1.270800       1.397000    
 H   -3.396300       1.588400     -0.1245000    
 H   -3.404700       1.514100       2.360800    
 H   -5.011400       1.914600       1.722100    
 H   -4.699500      0.2943000       2.320400    
 H   -2.975400      0.4329000      -2.127800    
 H  -0.6348000      -2.347400      -2.265900    
 H  -0.6961000       1.924000     -0.4898000    
 H   -5.358400     -0.4691000      0.1006000    
 H    4.169800       2.283100     -0.7495000    
 H    5.544700      0.5399000     -5.9900001E-02


%chk=000128824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128824

0 1
O -1.467372 -0.742355 1.191801
O -2.589780 -0.231177 -1.947323
O -0.604786 -1.950191 -2.188383
O -4.406229 0.951346 -0.425492
O 2.261310 -1.780981 1.747300
N 0.444633 -0.121625 -0.202733
N 1.232138 1.761979 -1.242161
N 3.488517 1.692665 -0.181230
N 3.915225 -0.130220 1.347419
C -2.805057 -0.684221 0.526961
C -2.635813 -1.261098 -0.901432
C -1.232050 -1.941090 -0.890479
C -0.436775 -1.214149 0.252509
C -3.296633 0.785852 0.560899
C 1.763708 0.061926 0.253219
C -3.706365 1.237617 1.962539
C 0.180910 0.916601 -1.094001
C 2.202293 1.223461 -0.407880
C 2.607534 -0.707677 1.164561
C 4.279900 0.968746 0.709826
H -3.477834 -1.327229 1.128283
H -3.431402 -1.990387 -1.139549
H -1.335849 -2.994894 -0.580538
H 0.217130 -1.894545 0.822810
H -2.493402 1.430290 0.168232
H -2.861047 1.091342 2.657435
H -3.986256 2.304859 1.967492
H -4.559811 0.642059 2.343741
H -3.431139 0.307541 -1.854814
H -0.982605 -1.186868 -2.706333
H -0.773410 1.006650 -1.608232
H -5.276238 0.758225 0.003237
H 3.828769 2.531996 -0.654850
H 5.286788 1.369853 0.874564


