%chk=000122492.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122492

0 1
 O   -1.786600      0.6660000      0.3004000    
 O   -3.954200       3.371400     -0.2617000    
 O   -2.397300       3.127700       1.372000    
 O  -0.9606000       2.252800      -1.161500    
 O    6.871200      -2.229200      0.7335000    
 O    7.781700     -0.3629000      2.1600001E-02
 N    6.773300      -1.064100      0.2781000    
 C   -4.066900      0.3858000       1.020200    
 C   -3.113400       1.171100      0.1170000    
 C   -4.432400     -0.9541000      0.4274000    
 C   -5.541700      -1.051500     -0.3973000    
 C   -3.652200      -2.061400      0.7191000    
 C   -3.100000       2.637900      0.4978000    
 C   -5.879600      -2.289200     -0.9449000    
 C   -3.990200      -3.299000      0.1716000    
 C   -5.103800      -3.412900     -0.6606000    
 C  -0.8146000       1.307100     -0.4034000    
 C    2.943100      0.5421000     -0.4097000    
 C   0.4738000      0.6493000     -8.8699996E-02
 C    1.620000       1.096800     -0.6480000    
 C    3.076700     -0.7512000      9.5299996E-02
 C    4.078700       1.303000     -0.6871000    
 C    5.481300     -0.5226000      4.5499999E-02
 C    4.345700      -1.283600      0.3228000    
 C    5.347900      0.7707000     -0.4595000    
 H   -4.988100      0.9579000       1.192800    
 H   -3.619700      0.2335000       2.011700    
 H   -3.382500       1.070600     -0.9423000    
 H   -6.150600     -0.1817000     -0.6265000    
 H   -2.782500      -1.983100       1.365100    
 H   -6.746300      -2.377700      -1.593300    
 H   -3.385800      -4.173900      0.3927000    
 H   -5.366700      -4.376500      -1.087300    
 H    1.584700       1.946500      -1.326600    
 H   0.4450000     -0.1755000      0.6145000    
 H    2.222200      -1.387400      0.3069000    
 H    3.994200       2.313500      -1.079900    
 H    4.412200      -2.296100      0.7128000    
 H    6.210000       1.392600     -0.6868000    
 H   -3.936400       4.321400     -1.7800000E-02


%chk=000122492-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122492

0 1
O -1.917705 0.806918 0.557166
O -4.471018 3.443109 0.557543
O -2.376576 3.378521 1.573040
O -1.097809 2.053639 -1.248014
O 7.072010 -1.925183 1.186092
O 7.785504 -0.722325 -0.617874
N 6.866635 -1.115804 0.200245
C -4.285076 0.478403 1.021009
C -3.247989 1.398687 0.329247
C -4.422257 -0.865750 0.320661
C -5.358206 -1.031034 -0.732535
C -3.608323 -1.966733 0.688378
C -3.262411 2.823751 0.898662
C -5.477624 -2.267778 -1.405521
C -3.726137 -3.205622 0.018886
C -4.660794 -3.359816 -1.031247
C -0.894654 1.249142 -0.306430
C 2.866586 0.354864 -0.390417
C 0.385250 0.618264 0.070160
C 1.521939 0.888503 -0.640391
C 3.163815 -0.538273 0.682763
C 3.925724 0.749534 -1.259939
C 5.489016 -0.607089 -0.004969
C 4.466278 -1.021034 0.880485
C 5.236511 0.275846 -1.076977
H -5.249487 1.016520 1.016080
H -3.975723 0.345925 2.073840
H -3.443658 1.467781 -0.756603
H -6.001063 -0.190109 -1.022658
H -2.879149 -1.847405 1.497965
H -6.207802 -2.381081 -2.214699
H -3.092351 -4.048915 0.315771
H -4.754144 -4.320628 -1.549648
H 1.416878 1.581125 -1.488011
H 0.357903 -0.051122 0.934998
H 2.371422 -0.854688 1.367906
H 3.710006 1.436254 -2.086070
H 4.711449 -1.704710 1.697243
H 6.056508 0.571066 -1.736419
H -4.483877 4.371346 0.916183


