%chk=000047975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047975

0 1
 O   -6.000700      0.5715000     -0.5746000    
 O   -4.154200       1.849800     -0.9652000    
 O   0.3971000      -2.064500     -0.9643000    
 O    5.878800      0.5752000      0.3062000    
 N   -1.845000     -0.5339000      0.1227000    
 C   -4.059500      4.1800000E-02  0.6298000    
 C   -3.995000      -1.429200      0.1407000    
 C   -2.596500      -1.614400     -0.4834000    
 C   -2.629600      0.3958000      0.7388000    
 C  -0.5353000     -0.2322000      0.2257000    
 C   -1.805900       1.352600       1.270700    
 C  -0.4727000      0.9536000      0.9416000    
 C   -4.706800      0.9275000     -0.3843000    
 C   0.5371000      -1.006100     -0.3125000    
 C    1.967000     -0.5833000     -0.1470000    
 C    2.653900      -1.025500      0.9557000    
 C    2.522000      0.2265000      -1.106300    
 C    3.983200     -0.6321000       1.109500    
 C    3.851400      0.6198000     -0.9527000    
 C    4.582200      0.1905000      0.1554000    
 C    6.428600       1.416600     -0.7065000    
 H   -4.580300      0.1364000       1.587400    
 H   -4.787300      -1.711100     -0.5598000    
 H   -4.080200      -2.093300       1.011300    
 H   -2.147500      -2.575100     -0.2216000    
 H   -2.600400      -1.452800      -1.565100    
 H   -2.107000       2.228400       1.827300    
 H   0.4279000       1.488800       1.211000    
 H   -6.444000       1.142300      -1.237800    
 H    2.190600      -1.665800       1.699700    
 H    1.954800      0.5615000      -1.969100    
 H    4.547100     -0.9695000       1.974900    
 H    4.253900       1.259400      -1.730800    
 H    5.911700       2.381100     -0.7527000    
 H    6.454300      0.9123000      -1.678500    
 H    7.466800       1.623500     -0.4265000    


%chk=000047975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047975

0 1
O -5.582443 1.473166 0.845624
O -5.306304 0.600585 -1.290576
O 0.229739 -1.133442 -1.797031
O 5.931761 0.765726 0.531757
N -1.921957 -0.558358 -0.023900
C -4.199904 -0.492814 0.653143
C -3.942444 -1.766327 -0.221812
C -2.559768 -1.554286 -0.914888
C -2.799667 0.057356 0.847918
C -0.632237 -0.033361 0.136336
C -2.095680 1.022175 1.594857
C -0.738896 0.962102 1.152428
C -5.069858 0.541373 -0.065653
C 0.473807 -0.464895 -0.727967
C 1.884688 -0.106985 -0.374919
C 2.343724 0.068669 0.962075
C 2.827809 -0.009326 -1.430491
C 3.693421 0.350696 1.228148
C 4.180914 0.288484 -1.182060
C 4.615864 0.473004 0.157116
C 6.935633 0.882851 -0.531307
H -4.686322 -0.727867 1.614893
H -4.741452 -1.920026 -0.963961
H -3.898642 -2.648000 0.440292
H -1.953007 -2.469984 -0.979095
H -2.652974 -1.136908 -1.931252
H -2.514298 1.686052 2.348135
H 0.076445 1.597294 1.492947
H -6.103239 2.165709 0.354798
H 1.650486 -0.059872 1.798905
H 2.473853 -0.176874 -2.453208
H 4.061364 0.469591 2.251664
H 4.879146 0.371477 -2.020103
H 6.687943 1.707178 -1.227413
H 7.035084 -0.064500 -1.095164
H 7.877908 1.106438 -0.010538


