%chk=000049645.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049645

0 1
 O  -0.4458000     -0.4093000      1.3700000E-02
 O    1.058000      -1.163600      -1.569400    
 N   -7.731000      0.4012000      0.8521000    
 C    1.828300     -0.2849000      0.5315000    
 C    3.105700      -1.095700      0.3989000    
 C    2.337000       1.129900      0.3176000    
 C    4.205300     -0.2443000      0.1460000    
 C    3.733000       1.123000      9.5899999E-02
 C   0.7977000     -0.6777000     -0.4770000    
 C    3.267200      -2.467100      0.5098000    
 C    1.616300       2.312600      0.3353000    
 C    5.479500     -0.7655000     -6.5000001E-03
 C    4.418000       2.307500     -0.1197000    
 C    4.551800      -2.991700      0.3558000    
 C    2.307200       3.505900      0.1177000    
 C    5.646800      -2.149400      9.9600002E-02
 C    3.693900       3.503300     -0.1084000    
 C   -1.534100     -0.7384000     -0.8554000    
 C   -2.842100     -0.3801000     -0.1640000    
 C   -4.049900     -0.7215000      -1.034900    
 C   -5.344600     -0.3268000     -0.3720000    
 C   -5.995700      -1.232000      0.4453000    
 C   -5.864500      0.9357000     -0.5885000    
 C   -7.181600     -0.8209000       1.032100    
 C   -7.056500       1.249800      4.4399999E-02
 H    1.450200     -0.4033000       1.553800    
 H    2.424600      -3.119600      0.7104000    
 H   0.5467000       2.320100      0.5132000    
 H    6.335300     -0.1281000     -0.2019000    
 H    5.488900       2.322200     -0.2927000    
 H    4.708700      -4.064200      0.4361000    
 H    1.767800       4.449400      0.1243000    
 H   -1.506700      -1.811700      -1.077100    
 H   -1.434100     -0.1731000      -1.789400    
 H    6.637600      -2.581100     -1.6000001E-02
 H    4.210000       4.445300     -0.2748000    
 H   -2.900700     -0.9049000      0.7984000    
 H   -2.835600      0.6888000      8.6499996E-02
 H   -3.969000     -0.2175000      -2.006800    
 H   -4.062800      -1.796400      -1.257300    
 H   -5.604600      -2.226100      0.6302000    
 H   -5.369500       1.661600      -1.223700    
 H   -7.738300      -1.485800       1.684200    
 H   -7.514100       2.224900     -8.5800000E-02


%chk=000049645-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049645

0 1
O -0.418623 -0.655230 0.003709
O 1.015003 -1.669179 -1.529767
N -7.681078 0.915367 0.842580
C 1.917574 -0.573281 0.525044
C 3.286235 -1.221822 0.339048
C 2.231841 0.926487 0.375240
C 4.282928 -0.219800 0.149805
C 3.632064 1.104352 0.166599
C 0.847267 -1.044419 -0.462998
C 3.628764 -2.583025 0.353674
C 1.362265 2.026846 0.440181
C 5.637698 -0.581214 -0.015444
C 4.167931 2.402820 0.023571
C 4.988636 -2.946007 0.186503
C 1.904009 3.329542 0.294524
C 5.983169 -1.952426 0.006127
C 3.293853 3.513309 0.088163
C -1.569198 -0.998662 -0.882988
C -2.825519 -0.430692 -0.222368
C -4.096919 -0.771362 -1.051580
C -5.352971 -0.199714 -0.416496
C -6.060533 -0.905214 0.590061
C -5.846987 1.080353 -0.773916
C -7.201044 -0.318786 1.182974
C -6.996282 1.590577 -0.128822
H 1.518067 -0.764001 1.541189
H 2.863349 -3.356507 0.479007
H 0.289146 1.879478 0.600306
H 6.410756 0.181652 -0.160230
H 5.241608 2.553569 -0.134675
H 5.274264 -4.003688 0.192244
H 1.242953 4.201965 0.343396
H -1.613327 -2.098959 -0.989307
H -1.386839 -0.564795 -1.883788
H 7.029309 -2.252373 -0.121821
H 3.694511 4.527268 -0.022068
H -2.924475 -0.841408 0.799545
H -2.728637 0.666380 -0.121418
H -3.978045 -0.372440 -2.077659
H -4.184999 -1.871878 -1.139381
H -5.734690 -1.903072 0.906265
H -5.349202 1.673278 -1.550004
H -7.763498 -0.849071 1.960166
H -7.396033 2.576284 -0.393689


