%chk=000047523.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047523

0 1
 O    1.551300       2.231100     -0.1274000    
 O   -5.460300     -0.5781000      0.5272000    
 O   -4.190400      -2.207600     -0.4880000    
 O    6.392500      -1.607800      0.1305000    
 N   0.4093000      0.1785000     -2.2299999E-02
 N    5.272100      -1.003400      8.7700002E-02
 C  -0.9333000      0.5542000     -7.8199998E-02
 C   -1.932500     -0.4182000     -3.8300000E-02
 C    2.847000      0.3030000     -1.6000000E-03
 C   -3.274600     -4.1900001E-02 -9.3599997E-02
 C   -1.276100       1.902900     -0.1730000    
 C    1.538700       1.007300     -4.8999999E-02
 C   -3.617400       1.306800     -0.1886000    
 C   -2.618200       2.279200     -0.2283000    
 C    3.934100      0.9571000      0.5274000    
 C    2.927900     -0.9803000     -0.4877000    
 C    5.152400      0.2869000      0.5669000    
 C    4.157500      -1.628800     -0.4369000    
 C   -4.316900      -1.055000     -5.3399999E-02
 C   -6.563000      -1.485900      0.6265000    
 H   -1.663000      -1.469400      3.8500000E-02
 H   0.5495000     -0.8214000      9.0499997E-02
 H  -0.5629000       2.713900     -0.2098000    
 H   -4.653700       1.629600     -0.2462000    
 H   -2.886000       3.329000     -0.3052000    
 H    3.872100       1.967800      0.9176000    
 H    2.099900      -1.507400     -0.9477000    
 H    6.062300      0.7128000      0.9639000    
 H    4.326000      -2.631600     -0.8016000    
 H   -6.878700      -1.805800     -0.3709000    
 H   -7.392900     -0.9622000       1.108000    
 H   -6.286800      -2.348700       1.239900    


%chk=000047523-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047523

0 1
O 1.564141 2.274711 0.026269
O -5.645297 -0.568585 0.142954
O -4.058988 -2.273746 0.185459
O 6.588057 -1.634047 -0.047365
N 0.393374 0.238616 0.050210
N 5.401234 -1.039531 -0.038442
C -0.957172 0.687113 0.047330
C -1.965485 -0.306683 0.093566
C 2.847688 0.230374 -0.006880
C -3.331089 0.056401 0.093219
C -1.326151 2.060656 0.000623
C 1.561474 1.002627 0.020244
C -3.704289 1.424079 0.045152
C -2.694685 2.407452 -0.000944
C 4.048875 0.963021 0.198948
C 2.981026 -1.165371 -0.246876
C 5.292234 0.337047 0.186006
C 4.236001 -1.776732 -0.260817
C -4.333417 -1.047563 0.144499
C -6.701566 -1.605726 0.195133
H -1.716158 -1.374928 0.130518
H 0.503919 -0.775058 0.111864
H -0.545757 2.822613 -0.029432
H -4.763116 1.694030 0.045429
H -2.970793 3.466626 -0.037453
H 3.981417 2.041843 0.365606
H 2.123537 -1.814001 -0.457042
H 6.245783 0.842125 0.342586
H 4.405718 -2.837948 -0.445301
H -6.624007 -2.274633 -0.678427
H -7.646213 -1.044564 0.183365
H -6.604395 -2.203619 1.116902


