%chk=000056591.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056591

0 1
 O    3.169200      -2.376300     -0.3816000    
 O   -1.074100     -2.5200000E-02  -1.977000    
 O    4.060700       2.578400     -0.1979000    
 N  -0.4621000      -2.050800      0.1413000    
 C  -0.5177000     -0.6958000      0.7591000    
 C   0.8752000      -2.638800      0.2400000    
 C    1.873700      -1.809100     -0.5670000    
 C   0.7283000      0.1660000      0.5060000    
 C    1.866200     -0.3664000     -0.1290000    
 C   -1.788500      2.9500000E-02  0.3102000    
 C   -1.444200      -2.961600      0.7420000    
 C   0.7650000       1.500000      0.9547000    
 C    2.971700      0.4631000     -0.3805000    
 C   -1.992400      0.3224000      -1.032300    
 C   -2.730100      0.3876000       1.267300    
 C    2.977400       1.790800      4.3099999E-02
 C    1.878800       2.306000      0.7209000    
 C   -3.156300      0.9839000      -1.424300    
 C   -3.893900       1.049000      0.8753000    
 C   -4.107000       1.347300     -0.4705000    
 H  -0.5399000     -0.8284000       1.851600    
 H   0.8780000      -3.659400     -0.1654000    
 H    1.198000      -2.728500       1.287200    
 H    1.634100      -1.848600      -1.637000    
 H   -2.466800      -2.596200      0.6040000    
 H   -1.269100      -3.107000       1.814200    
 H   -1.406200      -3.941900      0.2531000    
 H  -7.9599999E-02   1.927800       1.489000    
 H    3.837400      6.5099999E-02 -0.9054000    
 H   -2.577900      0.1616000       2.318900    
 H    1.879100       3.335900       1.067000    
 H    3.140400      -3.289100     -0.7155000    
 H   -3.335300       1.222500      -2.469300    
 H   -4.634200       1.331900       1.617900    
 H   -5.013200       1.862400     -0.7756000    
 H   -1.391200      0.2639000      -2.849700    
 H    4.729500       2.058400     -0.6758000    


%chk=000056591-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056591

0 1
O 3.151527 -2.324407 -0.782096
O -0.936346 0.035849 -1.940518
O 4.170228 2.576649 -0.105396
N -0.442868 -2.060741 0.329627
C -0.518355 -0.663993 0.840411
C 0.914402 -2.634424 0.290474
C 1.777318 -1.797816 -0.675170
C 0.739802 0.161148 0.529097
C 1.849883 -0.371974 -0.170423
C -1.792538 0.017636 0.326627
C -1.443518 -2.947036 0.944277
C 0.806696 1.500350 0.986647
C 3.002339 0.414239 -0.391167
C -1.974442 0.344456 -1.046402
C -2.836742 0.343397 1.222604
C 3.046948 1.744444 0.077536
C 1.944097 2.298919 0.765960
C -3.163281 0.969662 -1.491944
C -4.029858 0.969694 0.793134
C -4.190156 1.282637 -0.574219
H -0.612591 -0.682785 1.960309
H 0.829443 -3.674267 -0.082665
H 1.419721 -2.672595 1.287819
H 1.278703 -1.809729 -1.668005
H -2.453223 -2.520467 0.816334
H -1.275731 -3.110927 2.039833
H -1.423740 -3.931557 0.443758
H -0.051009 1.927654 1.519586
H 3.855634 -0.043169 -0.905131
H -2.704834 0.097613 2.284199
H 1.998935 3.332372 1.119995
H 3.117396 -3.201464 -1.240180
H -3.285675 1.215393 -2.555765
H -4.819209 1.208259 1.513245
H -5.105650 1.767779 -0.929943
H -1.147096 0.382833 -2.843413
H 4.886790 2.086767 -0.580033


