%chk=000056564.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056564

0 1
 O  -0.4013000       1.929200     -2.4300000E-02
 O   -2.834400       1.910300       1.399800    
 N    2.225800      0.8725000      5.7399999E-02
 C    2.406100      0.4588000      -1.338400    
 C    3.329000      0.4991000      0.9438000    
 C    2.956600     -0.9486000      -1.588400    
 C    3.068700     -0.8689000       1.581200    
 C    2.430900      -2.018000     -0.6366000    
 C    3.232900      -2.074900      0.6613000    
 C    1.955800       2.310300      0.1188000    
 C   0.6709000       2.647200     -0.6208000    
 C   -1.636000       2.201800     -0.6729000    
 C   -2.771300       1.472200      4.4100001E-02
 C   -2.597300     -3.0400001E-02  2.7500000E-02
 C   -3.136300     -0.7621000      -1.016800    
 C   -1.902900     -0.6424000       1.057200    
 C   -2.975900      -2.147700      -1.032000    
 C   -1.742500      -2.027900       1.041900    
 C   -2.278900      -2.780600     -2.7000001E-03
 H    3.052800       1.164000      -1.877700    
 H    1.428900      0.4759000      -1.834900    
 H    3.400200       1.208800       1.778800    
 H    4.301800      0.5347000      0.4381000    
 H    4.053200     -0.9282000      -1.557900    
 H    2.690400      -1.232900      -2.614700    
 H    2.059900     -0.8826000       2.015200    
 H    3.758900     -0.9930000       2.425600    
 H    2.531500      -2.992700      -1.130200    
 H    1.363100      -1.878000     -0.4330000    
 H    2.932500      -2.971800       1.217300    
 H    4.297000      -2.205300      0.4270000    
 H    2.792300       2.896700     -0.2806000    
 H    1.815200       2.603600       1.167200    
 H   0.7275000       2.450200      -1.696300    
 H   0.4798000       3.721400     -0.5032000    
 H   -1.577600       1.885000      -1.721000    
 H   -1.821900       3.282100     -0.6378000    
 H   -3.731000       1.732200     -0.4183000    
 H   -3.678400     -0.2775000      -1.823600    
 H   -1.463700     -7.8699999E-02   1.874900    
 H   -2.965000       2.873900       1.391200    
 H   -3.392700      -2.733800      -1.845900    
 H   -1.195700      -2.520300       1.840800    
 H   -2.152500      -3.859100     -1.5500000E-02


%chk=000056564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056564

0 1
O -0.412846 2.085690 -0.190781
O -2.766106 2.064422 1.200579
N 2.432443 1.005907 0.001512
C 3.166045 0.641507 -1.230461
C 2.985050 0.490465 1.279456
C 3.688910 -0.813982 -1.268610
C 2.378233 -0.878586 1.676118
C 2.706163 -1.880526 -0.719925
C 2.831031 -2.078956 0.812746
C 1.989436 2.412959 -0.000204
C 0.747199 2.674367 -0.865178
C -1.648379 2.155045 -0.985219
C -2.750207 1.469700 -0.155366
C -2.675122 -0.058080 -0.107571
C -3.885333 -0.797190 -0.081168
C -1.442125 -0.762276 -0.050713
C -3.874106 -2.207382 0.001052
C -1.430896 -2.173233 0.028829
C -2.643144 -2.901333 0.055632
H 4.035354 1.331788 -1.403795
H 2.478517 0.788197 -2.088086
H 2.735319 1.215949 2.076566
H 4.098766 0.422823 1.258150
H 4.639896 -0.889477 -0.704514
H 3.942191 -1.037258 -2.323717
H 1.277913 -0.772646 1.623372
H 2.635075 -1.088708 2.735789
H 2.918987 -2.850309 -1.212433
H 1.667138 -1.604618 -0.986844
H 2.244867 -2.970062 1.117111
H 3.892263 -2.314483 1.041514
H 2.796405 3.107069 -0.355489
H 1.735544 2.713033 1.032479
H 0.859457 2.229213 -1.877213
H 0.596520 3.771198 -0.984350
H -1.511616 1.647287 -1.963922
H -1.918502 3.218876 -1.158011
H -3.729125 1.760007 -0.578885
H -4.842385 -0.261264 -0.115698
H -0.500904 -0.200461 -0.063102
H -1.819610 2.073331 1.506309
H -4.819144 -2.762175 0.020635
H -0.473044 -2.705714 0.071468
H -2.629724 -3.995613 0.117537


