%chk=000117001.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117001

0 1
 O    3.660600      0.7108000      0.2598000    
 O   -1.303000       2.566100      0.3872000    
 O    2.762200      -2.258200      -1.420900    
 O    1.622700       3.467700     -0.8115000    
 O   -2.943400      -1.775000     -0.1066000    
 O  -0.3325000      -3.477900       1.080100    
 O   -3.967800       1.196300      -1.097200    
 N    1.791100     -0.7641000      7.2099999E-02
 N    1.401400       1.441700      0.3090000    
 N  -0.6340000      -1.446000     -3.7400000E-02
 N   -2.159500      0.3991000      0.1570000    
 C   0.4144000     -0.5515000      7.6600000E-02
 C   0.2061000      0.7666000      0.2191000    
 C    2.457500      0.4965000      0.2194000    
 C   -1.136700       1.356200      0.2661000    
 C   -1.981300      -1.005700     -3.7000000E-03
 C    2.513100      -2.004200     -5.1899999E-02
 C    1.555700       2.866200      0.4670000    
 C  -0.3935000      -2.874200     -0.1977000    
 C   -3.533200      0.8894000      0.2135000    
 H    2.031400      -2.839300      0.4545000    
 H    3.489600      -1.874300      0.4282000    
 H    2.512300       3.050500      0.9674000    
 H   0.7661000       3.309300       1.076600    
 H   0.4673000      -3.100700     -0.8238000    
 H   -1.248300      -3.321600     -0.7177000    
 H   -3.590700       1.795900      0.8241000    
 H   -4.198500      0.1328000      0.6401000    
 H    3.280900      -3.079100      -1.470200    
 H    1.759500       4.420300     -0.6731000    
 H  -0.2013000      -4.431100      0.9407000    
 H   -4.881300       1.521800      -1.027700    


%chk=000117001-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117001

0 1
O 3.724333 0.626931 0.262663
O -1.438182 2.550084 0.127278
O 2.596645 -2.657820 -1.277318
O 1.006065 3.612815 -0.616525
O -2.910916 -1.912187 0.034244
O 0.003314 -3.639822 1.017473
O -3.800712 1.643802 -1.085700
N 1.806132 -0.827300 0.125046
N 1.448697 1.406368 0.296429
N -0.598018 -1.532246 -0.057785
N -2.146268 0.311006 0.108333
C 0.432526 -0.618639 0.093200
C 0.197908 0.755780 0.208418
C 2.479391 0.463335 0.227489
C -1.119035 1.301545 0.146528
C -1.957698 -1.085377 0.030011
C 2.591599 -2.068327 0.055233
C 1.648079 2.875331 0.431759
C -0.373125 -2.993094 -0.227004
C -3.553718 0.845439 0.083503
H 2.146424 -2.829518 0.712193
H 3.606439 -1.791236 0.391707
H 2.732313 3.045712 0.355278
H 1.277166 3.174427 1.433111
H 0.469385 -3.142293 -0.917903
H -1.309750 -3.398605 -0.640904
H -3.693933 1.422296 1.016955
H -4.224043 -0.022006 0.039066
H 3.209343 -2.156677 -1.872407
H 0.014139 3.561122 -0.459438
H -0.801899 -3.820592 1.564623
H -3.275703 2.484045 -0.986454


