%chk=000116430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116430

2 1
 O   -3.374700       2.991300      -1.472300    
 O   -4.403200      -2.128100     -3.9400000E-02
 O    2.257100       2.681500       1.467800    
 O    4.799900      -1.894500      0.2392000    
 N   -5.652800      0.5743000      0.2562000    
 N    5.276800       1.069200     -1.7999999E-02
 C   -4.688000     -7.4900001E-02   1.176200    
 C   -4.923400       1.243200     -0.9176000    
 C    4.567200      0.1489000      -1.000600    
 C    4.304700       1.492500       1.073700    
 C   -6.636400     -0.4547000     -0.3190000    
 C   -6.465200       1.652000      0.9882000    
 C    6.452900      0.3333000      0.6077000    
 C    5.782800       2.302300     -0.7528000    
 C   -3.879700      -1.139000      0.4710000    
 C   -4.025900       2.343900     -0.3872000    
 C   -2.378300     -0.9030000      0.4342000    
 C    4.048800      -1.090300     -0.3077000    
 C    3.150700       2.251900      0.4493000    
 C   -1.608300      -2.035000     -0.2562000    
 C    2.577600      -1.335800     -0.2943000    
 C  -0.1371000      -1.789800     -0.2698000    
 C    1.821100     -0.8708000      -1.346100    
 C    2.032000      -2.018700      0.7692000    
 C   0.4453000      -1.100700      -1.333600    
 C   0.6563000      -2.248800      0.7818000    
 H   -4.045700      0.6723000       1.649900    
 H   -5.253400     -0.5582000       1.983000    
 H   -4.360300      0.4878000      -1.476600    
 H   -5.683200       1.649700      -1.597000    
 H    3.824400      0.7315000      -1.541500    
 H    5.306500     -0.1690000      -1.747200    
 H    3.965100      0.6120000       1.630100    
 H    4.850600       2.127800       1.782500    
 H   -7.476600      9.3300000E-02 -0.7586000    
 H   -6.994200      -1.093000      0.4939000    
 H   -6.151900      -1.031400      -1.109900    
 H   -5.798200       2.263500       1.601000    
 H   -7.173000       1.139800       1.648500    
 H   -7.007100       2.253000      0.2522000    
 H    7.098700       1.079900       1.082400    
 H    7.010300     -0.1875000     -0.1763000    
 H    6.101000     -0.3504000       1.383400    
 H    5.002400       2.700000      -1.406400    
 H    6.633100       1.997200      -1.371900    
 H    6.106700       3.045200     -1.7899999E-02
 H   -3.234000       1.986700      0.2709000    
 H   -4.572300       3.129700      0.1387000    
 H   -2.031400     -0.7922000       1.468400    
 H   -2.187800      3.6400001E-02 -9.3000002E-02
 H    3.470400       3.165400     -5.6000002E-02
 H    2.551200       1.668800     -0.2481000    
 H   -1.821400      -2.989700      0.2428000    
 H   -1.973900      -2.161800      -1.283900    
 H    2.240100     -0.3716000      -2.212000    
 H    2.637300      -2.375500       1.596900    
 H  -0.1615000     -0.7449000      -2.162100    
 H   0.2140000      -2.783800       1.618000    
 H   -4.063800       3.349200      -2.057700    
 H    1.927900       1.887100       1.922100    


%chk=000116430-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116430

2 1
O -6.570679 2.851595 -2.273948
O -4.413901 -0.954420 -1.562298
O 6.526025 3.517061 2.374842
O 4.342807 -0.463976 1.844225
N -6.701968 -0.098445 0.041162
N 6.372890 0.465244 0.053433
C -5.255700 -0.050646 0.561568
C -6.912992 0.815865 -1.193678
C 4.899978 0.397448 -0.375505
C 6.604696 1.342332 1.322151
C -7.083687 -1.535548 -0.355727
C -7.627619 0.342084 1.180158
C 6.919298 -0.941971 0.334273
C 7.164650 1.058189 -1.117806
C -4.148429 -0.470347 -0.435822
C -6.779843 2.328659 -0.928585
C -2.721140 -0.244811 0.053365
C 3.921529 -0.158026 0.689268
C 5.899348 2.718886 1.328076
C -1.685579 -1.059155 -0.769203
C 2.500541 -0.321879 0.289599
C -0.242126 -0.770155 -0.382228
C 1.994107 0.069187 -0.982474
C 1.613108 -0.929205 1.225853
C 0.641280 -0.150927 -1.306225
C 0.267748 -1.150176 0.890978
H -5.054420 0.974417 0.919709
H -5.207338 -0.718002 1.443128
H -6.172223 0.518524 -1.950724
H -7.918297 0.584930 -1.582535
H 4.596284 1.418379 -0.666726
H 4.863167 -0.233277 -1.282103
H 6.279184 0.737931 2.181381
H 7.693557 1.512946 1.376451
H -8.160119 -1.554565 -0.584198
H -6.871361 -2.207772 0.490650
H -6.497867 -1.827570 -1.236776
H -7.323111 1.333751 1.545893
H -7.566399 -0.391840 1.998631
H -8.658864 0.384674 0.798479
H 7.984207 -0.851828 0.597392
H 6.810067 -1.556486 -0.573413
H 6.358743 -1.379191 1.170574
H 6.807852 2.076087 -1.332170
H 7.031247 0.420025 -2.005048
H 8.229123 1.091317 -0.842095
H -5.910136 2.566135 -0.276753
H -7.693518 2.741485 -0.457143
H -2.649528 -0.466434 1.136932
H -2.505601 0.841855 -0.042660
H 6.082503 3.284502 0.397885
H 4.806331 2.617037 1.480627
H -1.896759 -2.136918 -0.629689
H -1.844934 -0.849599 -1.840306
H 2.637674 0.540295 -1.733932
H 2.009517 -1.235887 2.199121
H 0.268299 0.143422 -2.293414
H -0.386783 -1.649693 1.614944
H -6.838902 3.801839 -2.339449
H 6.124258 3.330149 3.260384


