%chk=000146369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146369

0 1
 O   -3.348000      0.4972000     -0.4054000    
 O   -1.078900       2.192900     -0.3089000    
 O  -0.3130000       2.698200       1.816600    
 O    3.703800      -1.422500       1.791100    
 O    3.166000      -2.472900     -0.2006000    
 O   -3.075400      -3.721000     -0.5273000    
 O   -2.280200      -3.092900       1.420100    
 N    3.262300       2.007500     -0.7816000    
 N   -2.282800      -3.038900      0.1664000    
 C   -3.202100       1.524600      0.5895000    
 C   -4.610400       1.924600      0.9943000    
 C   -5.342800      0.6123000      0.8703000    
 C    1.385000      0.2575000      0.4213000    
 C   -4.696600      8.2000000E-03 -0.3583000    
 C   -2.384700       2.672000      2.8700000E-02
 C    1.116700       1.746700      0.1831000    
 C    2.827200     -0.1462000      9.8600000E-02
 C    2.034800       2.537200     -0.4177000    
 C   0.4278000     -0.5719000     -0.3856000    
 C    3.679700      0.7167000     -0.4992000    
 C  -0.1625000       2.273600      0.6859000    
 C    1.850400       3.994900     -0.7427000    
 C  -0.4705000      -1.411100      0.2627000    
 C   0.4495000     -0.4904000      -1.772800    
 C    3.244000      -1.494100      0.5187000    
 C    5.095800      0.4054000     -0.9022000    
 C   -1.360400      -2.180000     -0.4874000    
 C  -0.4403000      -1.259500      -2.522800    
 C   -1.345100      -2.104300      -1.880100    
 C    4.150800      -2.664100       2.345400    
 H   -2.681100       1.060300       1.435800    
 H   -4.657600       2.355800       1.998000    
 H   -5.032000       2.649700      0.2876000    
 H   -5.136000     -1.3100000E-02   1.746900    
 H   -6.426300      0.7194000      0.7741000    
 H    1.236000      7.7399999E-02   1.495900    
 H   -5.200700      0.3375000      -1.273100    
 H   -4.694900      -1.084800     -0.3368000    
 H   -2.827000       3.035000     -0.9057000    
 H   -2.336700       3.520200      0.7215000    
 H    3.926400       2.627700      -1.231200    
 H    2.606200       4.595800     -0.2257000    
 H   0.8685000       4.377200     -0.4498000    
 H    1.957900       4.157900      -1.820500    
 H  -0.4664000      -1.453500       1.349000    
 H    1.143200      0.1598000      -2.297900    
 H    5.792400       1.065900     -0.3749000    
 H    5.223900      0.5574000      -1.979300    
 H    5.385900     -0.6254000     -0.6800000    
 H  -0.4289000      -1.199700      -3.607200    
 H   -2.024300      -2.687500      -2.496600    
 H    4.986900      -3.060300       1.761400    
 H    4.493500      -2.476700       3.366500    
 H    3.326400      -3.383000       2.377900    


%chk=000146369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146369

0 1
O -3.608151 2.393028 -0.553520
O -0.933363 2.681465 0.769280
O -0.506710 0.843103 2.140569
O 3.436812 -1.663655 1.846147
O 5.329336 -0.933188 0.696539
O -3.236987 -3.563622 -1.185471
O -3.203844 -1.855019 0.320709
N 2.582627 1.686818 -1.418022
N -2.623253 -2.628030 -0.539928
C -3.280308 1.881255 0.807535
C -4.629972 1.805949 1.551478
C -5.587847 1.365429 0.416062
C 1.623140 -0.118237 0.492323
C -5.058594 2.159675 -0.801491
C -2.254204 2.813838 1.450363
C 0.938774 1.239325 0.248864
C 3.110175 -0.024934 0.164493
C 1.366381 2.031308 -0.803318
C 0.886660 -1.212781 -0.324151
C 3.525084 0.810763 -0.860298
C -0.191518 1.545840 1.135198
C 0.708623 3.273642 -1.363223
C -0.475030 -1.481148 -0.036526
C 1.503626 -1.934658 -1.376517
C 4.079156 -0.870367 0.877539
C 4.923122 0.934759 -1.422547
C -1.180732 -2.416758 -0.816446
C 0.784673 -2.894317 -2.130140
C -0.574514 -3.145317 -1.864589
C 4.326598 -2.539163 2.637978
H -2.856731 0.861853 0.708871
H -4.601572 1.089739 2.389088
H -4.916614 2.802225 1.941286
H -5.483721 0.278707 0.246456
H -6.645853 1.587593 0.635570
H 1.498041 -0.372310 1.558146
H -5.552759 3.146965 -0.895357
H -5.164810 1.609601 -1.753561
H -2.535678 3.867391 1.299669
H -2.131642 2.575961 2.521641
H 2.882870 2.256265 -2.210749
H 0.765727 4.110892 -0.645939
H -0.363062 3.101940 -1.546921
H 1.196354 3.586057 -2.305627
H -0.984092 -0.972618 0.785675
H 2.557875 -1.749721 -1.608278
H 5.569060 1.513434 -0.737430
H 4.910922 1.444609 -2.404318
H 5.402173 -0.050221 -1.522820
H 1.288239 -3.441318 -2.934259
H -1.160523 -3.867584 -2.438173
H 5.089345 -1.939469 3.163083
H 3.659156 -3.045216 3.349636
H 4.832936 -3.267075 1.981419


