%chk=000041760.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041760

0 1
 O    4.754000      -3.239300       1.398400    
 O    4.565200       3.155900       1.713900    
 N    3.586800     -7.9999998E-04  8.5199997E-02
 C    3.273200     -0.2945000      -1.317400    
 C    1.885500      0.2876000      -1.636100    
 C   0.7218000     -0.2663000     -0.8029000    
 C  -0.6417000      0.2987000      -1.208500    
 C   -1.789700     -0.1847000     -0.3159000    
 C   -3.164400      0.3172000     -0.7633000    
 C    4.375900      0.2672000      -2.212900    
 C   -4.276700     -0.2573000      0.1172000    
 C    4.521000     -0.9917000      0.6138000    
 C    4.139800       1.345800      0.2095000    
 C   -5.649500      0.2675000     -0.3072000    
 C   -6.757600     -0.2807000      0.5935000    
 C    3.806500      -2.302100      0.9036000    
 C    4.000400       1.853700       1.635600    
 C   -8.125200      0.2699000      0.1899000    
 C   -9.225400     -0.2462000       1.103500    
 H    3.204800      -1.370500      -1.507400    
 H    1.671000      8.1100002E-02  -2.693700    
 H    1.889600       1.381200      -1.551600    
 H   0.7005000      -1.359100     -0.8953000    
 H   0.8920000     -4.1099999E-02  0.2567000    
 H  -0.6046000       1.394600      -1.176300    
 H  -0.8487000      1.9200001E-02  -2.248800    
 H   -1.793300      -1.282000     -0.3092000    
 H   -1.603100      0.1369000      0.7162000    
 H   -3.183400       1.412800     -0.7210000    
 H   -3.338600      3.0099999E-02  -1.807200    
 H    4.222200     -0.1125000      -3.231500    
 H    5.381200     -5.5599999E-02  -1.925300    
 H    4.361800       1.357800      -2.310400    
 H   -4.089400      1.0900000E-02   1.164100    
 H   -4.266700      -1.352300      5.7000000E-02
 H    4.965000     -0.6679000       1.562300    
 H    5.381200      -1.168600     -4.3699998E-02
 H    3.604500       2.077600     -0.4080000    
 H    5.197000       1.407300     -8.3600000E-02
 H   -5.846600     -1.5900001E-02  -1.348200    
 H   -5.651500       1.363600     -0.2645000    
 H   -6.548400     -1.2500000E-02   1.636300    
 H   -6.769800      -1.376000      0.5378000    
 H    3.031800      -2.161800       1.665600    
 H    3.345400      -2.748000      1.9400001E-02
 H    2.945800       1.917600       1.925300    
 H    4.523900       1.228600       2.363300    
 H   -8.112300       1.365400      0.2285000    
 H   -8.351000     -1.5699999E-02 -0.8441000    
 H   -9.286200      -1.338500       1.065800    
 H   -9.046200      5.2700002E-02   2.141200    
 H   -10.19450      0.1589000      0.7960000    
 H    4.269600      -4.059600       1.593500    
 H    4.449000       3.463300       2.629100    


%chk=000041760-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041760

0 1
O 4.728775 -3.095043 1.822304
O 3.987926 3.147465 1.874713
N 3.761447 -0.024520 -0.085553
C 3.375874 -0.302495 -1.500062
C 1.981622 0.285611 -1.842760
C 0.830124 -0.344544 -1.030843
C -0.535428 0.335370 -1.275269
C -1.693452 -0.325143 -0.493549
C -3.057736 0.366911 -0.712427
C 4.451022 0.142669 -2.530789
C -4.216726 -0.306230 0.056911
C 4.622010 -1.056285 0.533874
C 4.108737 1.370904 0.251772
C -5.580655 0.389028 -0.155011
C -6.740633 -0.290742 0.607033
C 3.782753 -2.096059 1.293187
C 3.572350 1.753072 1.639496
C -8.104604 0.405951 0.396799
C -9.257732 -0.282019 1.159249
H 3.283534 -1.406695 -1.567376
H 1.798366 0.138212 -2.926933
H 1.991898 1.383464 -1.680353
H 0.751577 -1.423115 -1.286200
H 1.091105 -0.294637 0.044890
H -0.466129 1.406700 -0.991433
H -0.770372 0.317711 -2.360532
H -1.772609 -1.392142 -0.790440
H -1.451166 -0.322457 0.590044
H -2.982362 1.430907 -0.404340
H -3.294352 0.374606 -1.797191
H 4.189087 -0.206461 -3.546890
H 5.443636 -0.272157 -2.273844
H 4.539382 1.244365 -2.565898
H -3.977677 -0.319686 1.141166
H -4.295003 -1.368609 -0.256161
H 5.324286 -0.586154 1.247511
H 5.245070 -1.590180 -0.216660
H 3.653276 2.056113 -0.484205
H 5.206049 1.562619 0.233600
H -5.816986 0.408068 -1.239736
H -5.504664 1.449748 0.164178
H -6.505379 -0.311802 1.692016
H -6.819173 -1.350902 0.286500
H 3.223232 -1.592928 2.109774
H 3.049515 -2.565579 0.603061
H 2.467080 1.650273 1.646249
H 3.995927 1.078241 2.414726
H -8.025859 1.464445 0.719157
H -8.338090 0.428549 -0.687390
H -9.375701 -1.333093 0.834065
H -9.063511 -0.289134 2.248619
H -10.221163 0.233838 0.991235
H 4.231079 -3.791976 2.317971
H 3.682322 3.437847 2.769947


