%chk=000164612.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164612

0 1
 O   0.6113000      -2.178800      0.4617000    
 O    3.279300      -1.693100      0.3482000    
 O    4.221300      0.7824000     -0.4401000    
 O   -5.454000      -1.062100     -0.2053000    
 N  -0.8493000       1.705400       2.070400    
 C   -1.787800       1.967700      0.9706000    
 C   -1.198700       2.969700     -4.5600001E-02
 C  -0.3360000       2.401500      -1.179100    
 C   -2.256800      0.6765000      0.3171000    
 C   0.6050000       1.301100     -0.7586000    
 C   0.1036000      3.8400002E-02 -0.3607000    
 C   -1.353500     -0.2300000     -0.2985000    
 C    1.029000     -0.9577000      5.4000001E-03
 C    1.989500       1.533500     -0.7792000    
 C   -3.632000      0.3786000      0.3389000    
 C   -1.876700      -1.405500     -0.8729000    
 C    2.403600     -0.7148000     -2.1700000E-02
 C    2.883000      0.5299000     -0.4128000    
 C   -4.120400     -0.7930000     -0.2351000    
 C   -3.243800      -1.684200     -0.8407000    
 C   0.4212000      -2.308100       1.866200    
 C    3.754200      -2.558000     -0.6805000    
 C    4.807600       1.300700      0.7523000    
 H   -2.648600       2.466300       1.435100    
 H  -0.6217000       3.733700      0.4936000    
 H   -2.028200       3.517500     -0.5139000    
 H   0.2218000       3.227100      -1.639800    
 H  -0.9808000       2.019100      -1.982000    
 H    2.373700       2.504200      -1.085400    
 H   -4.325700       1.071600      0.8107000    
 H   -1.226000      -2.114500      -1.381200    
 H   -1.315900       1.158500       2.793300    
 H  -0.5805000       2.585400       2.508700    
 H   -3.616200      -2.597200      -1.297400    
 H   4.9300000E-02  -3.316200       2.069300    
 H  -0.3167000      -1.586700       2.230500    
 H    1.367700      -2.173900       2.399300    
 H   -5.912700     -0.3369000      0.2526000    
 H    4.434200      -3.285700     -0.2292000    
 H    4.303000      -1.990400      -1.438500    
 H    2.922800      -3.097800      -1.144700    
 H    4.365300       2.269000       1.007200    
 H    5.877500       1.440500      0.5751000    
 H    4.679100      0.5986000       1.582100    


%chk=000164612-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164612

0 1
O 0.677452 -2.104209 0.496328
O 3.417225 -1.477186 0.421010
O 4.231411 1.158808 -0.509913
O -5.508692 -1.178901 -0.477365
N -1.010821 1.742836 2.071347
C -1.950586 2.031754 0.967938
C -1.318170 3.076501 -0.006266
C -0.488319 2.471641 -1.169701
C -2.344720 0.723649 0.268417
C 0.529353 1.432845 -0.732827
C 0.083081 0.146839 -0.297907
C -1.374365 -0.180203 -0.268857
C 1.067986 -0.802487 0.081237
C 1.905444 1.735463 -0.754347
C -3.719351 0.394977 0.200884
C -1.837207 -1.398843 -0.839285
C 2.458066 -0.506368 0.035778
C 2.880069 0.786546 -0.369620
C -4.150934 -0.815808 -0.387150
C -3.204125 -1.724590 -0.905534
C 0.754234 -2.295634 1.961041
C 3.534482 -2.613144 -0.524390
C 5.105785 0.960997 0.666325
H -2.898825 2.490518 1.344288
H -0.686283 3.767409 0.588431
H -2.130750 3.686009 -0.447262
H 0.020240 3.295035 -1.704898
H -1.194049 2.008914 -1.887217
H 2.255496 2.718234 -1.087323
H -4.454626 1.093388 0.626339
H -1.101760 -2.100832 -1.240195
H -1.365881 1.095640 2.779407
H -0.536137 2.559449 2.463382
H -3.548836 -2.662017 -1.351320
H 0.417893 -3.327807 2.144836
H 0.082724 -1.580209 2.472541
H 1.794177 -2.161259 2.311424
H -6.085867 -0.472019 -0.095196
H 4.304350 -3.274334 -0.096652
H 3.856638 -2.249641 -1.518216
H 2.569585 -3.144181 -0.602139
H 4.759465 1.592301 1.508054
H 6.104029 1.290554 0.339114
H 5.122116 -0.098334 0.970859


