%chk=000176981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176981

0 1
 O   0.7589000     -0.7611000      -2.500200    
 O   -1.525800       2.626000      6.8700001E-02
 N   -2.091400     -0.3042000      0.8567000    
 C   0.3204000     -0.4054000     -7.6399997E-02
 C   -1.121400      0.2113000     -0.1388000    
 C   0.9284000      0.3070000       1.173300    
 C    1.184900     -5.2299999E-02  -1.337200    
 C   0.2529000      -1.940000      0.1227000    
 C   -1.866800      0.1509000      -1.467500    
 C   0.4931000       1.770000       1.040000    
 C  -0.8121000       1.654600      0.2935000    
 C    2.442000      0.1364000       1.333900    
 C    2.681100     -0.3171000      -1.135600    
 C    3.241400      0.4465000      6.3900001E-02
 C  -0.7396000      -2.360300       1.200400    
 C   -2.116000      -1.773200      0.9225000    
 C   -3.409000      0.1894000      0.4152000    
 C   -3.341800      0.3021000      -1.102700    
 C    4.720800      0.1191000      0.2676000    
 H   0.4655000     -7.4699998E-02   2.092000    
 H    1.063600       1.009400      -1.581400    
 H    1.238700      -2.348600      0.3700000    
 H  -5.7700001E-02  -2.426500     -0.8096000    
 H   -1.730900     -0.8194000      -1.958200    
 H   -1.561800      0.9346000      -2.169300    
 H    1.181900       2.378000      0.4492000    
 H   0.3328000       2.227900       2.019600    
 H    2.794700      0.7748000       2.153900    
 H    2.645000     -0.8969000       1.643900    
 H    3.221000     -2.9100001E-02  -2.047300    
 H    2.862500      -1.393800      -1.024900    
 H    3.172000       1.520800     -0.1470000    
 H  -0.8098000      -3.454500       1.217700    
 H  -0.3897000      -2.061300       2.194500    
 H   -2.509500      -2.212500     -3.8000001E-03
 H   -2.789800      -2.083000       1.730900    
 H   -3.586200       1.178500      0.8540000    
 H   -4.244000     -0.4398000      0.7451000    
 H   -3.733800       1.268300      -1.438100    
 H   -3.931600     -0.4848000      -1.585600    
 H    1.097300      -1.670600      -2.448300    
 H    5.132200      0.6894000       1.107000    
 H    4.869000     -0.9459000      0.4762000    
 H    5.300900      0.3726000     -0.6260000    


%chk=000176981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176981

0 1
O 0.759033 -0.812658 -2.560211
O -1.506447 2.682279 -0.071900
N -2.054175 -0.278172 0.871352
C 0.316701 -0.454302 -0.083098
C -1.099378 0.217105 -0.201966
C 0.932724 0.258917 1.190564
C 1.190608 -0.093420 -1.338983
C 0.227836 -1.991529 0.096897
C -1.903881 0.153305 -1.537898
C 0.455309 1.727883 1.094156
C -0.810062 1.685162 0.239339
C 2.458485 0.081024 1.354275
C 2.703385 -0.314950 -1.123832
C 3.263907 0.462712 0.089893
C -0.756897 -2.398993 1.212541
C -2.132539 -1.768928 0.951862
C -3.372353 0.302727 0.454801
C -3.402608 0.264140 -1.110659
C 4.774488 0.208759 0.277998
H 0.435312 -0.178036 2.075249
H 1.019301 0.967430 -1.605249
H 1.231339 -2.408999 0.309583
H -0.118842 -2.447303 -0.852576
H -1.692648 -0.788578 -2.068365
H -1.611598 0.973749 -2.214000
H 1.189644 2.389355 0.593942
H 0.239556 2.185838 2.075757
H 2.805205 0.682753 2.218468
H 2.682609 -0.977333 1.604228
H 3.228326 -0.014540 -2.051049
H 2.902522 -1.399696 -0.976825
H 3.123462 1.547122 -0.107930
H -0.860524 -3.500578 1.240251
H -0.385780 -2.084231 2.205354
H -2.553154 -2.210467 0.013666
H -2.829059 -2.016576 1.774073
H -3.436864 1.346844 0.802923
H -4.190634 -0.269816 0.925039
H -3.868241 1.180191 -1.510380
H -3.981504 -0.601113 -1.481498
H 1.168475 -1.715216 -2.546168
H 5.173065 0.787854 1.131768
H 4.971480 -0.862706 0.477053
H 5.346718 0.495589 -0.623947


