%chk=000169276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169276

0 1
 O   0.2391000       1.291400       1.557900    
 O   0.3350000       1.580400      -1.438600    
 O   0.9071000      -2.333600      2.7700000E-02
 O   -1.795600      -1.867000     -0.4835000    
 N    2.341300      0.1582000      3.6800001E-02
 N   -2.120800      0.9136000     -0.1414000    
 C    2.577400      0.9184000       1.274600    
 C   -2.137100       1.437400       1.239700    
 C    2.643300      0.9083000      -1.191300    
 C   -2.027600       1.971600      -1.162500    
 C    2.992300      -1.162000      7.5599998E-02
 C   -3.255100      8.8000000E-03 -0.4121000    
 C    1.373000      0.7057000       2.195100    
 C   -1.003000      0.8322000       2.074400    
 C    1.673200       2.077600      -1.421600    
 C  -0.6340000       2.608100      -1.220200    
 C    2.154700      -2.214900     -0.6534000    
 C   -2.985100      -1.391400      0.1410000    
 C   5.7000000E-02  -3.332500     -0.5357000    
 C   -1.335000      -3.110500      3.7300002E-02
 H    2.675300       1.991700       1.081700    
 H    3.506600      0.6134000       1.770900    
 H   -3.092900       1.228500       1.735700    
 H   -2.028800       2.529100       1.246100    
 H    2.543300      0.2397000      -2.054400    
 H    3.677000       1.274500      -1.181400    
 H   -2.797800       2.737700      -1.013200    
 H   -2.197300       1.530100      -2.153100    
 H    3.084900      -1.502800       1.115400    
 H    4.006900      -1.115200     -0.3375000    
 H   -3.381200     -0.1097000      -1.496200    
 H   -4.199300      0.4126000     -2.7899999E-02
 H    1.210200     -0.3618000       2.385400    
 H    1.535200       1.210700       3.153200    
 H   -1.096900       1.162200       3.115100    
 H   -1.038900     -0.2617000       2.052800    
 H    1.792000       2.847900     -0.6527000    
 H    1.880600       2.541200      -2.392600    
 H  -0.5901000       3.319800      -2.052600    
 H  -0.4120000       3.148800     -0.2941000    
 H    1.984800      -1.941700      -1.700300    
 H    2.674100      -3.179500     -0.6231000    
 H   -2.874500      -1.376500       1.230100    
 H   -3.814300      -2.060100     -0.1152000    
 H   0.4368000      -4.321500     -0.2612000    
 H   3.7300002E-02  -3.231000      -1.626800    
 H   -2.016600      -3.907700     -0.2747000    
 H   -1.292100      -3.060900       1.131100    


%chk=000169276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169276

0 1
O 0.380915 1.206765 1.550928
O 0.635536 1.815651 -1.640195
O 1.105437 -2.580177 0.438787
O -1.793850 -2.196240 -0.307731
N 2.866287 0.354840 -0.065319
N -2.011284 0.801174 -0.421076
C 2.789209 0.618329 1.368285
C -2.004606 1.346986 0.950760
C 2.984864 1.476432 -0.994845
C -1.824158 1.758049 -1.531880
C 2.699171 -1.009341 -0.560213
C -3.079824 -0.176617 -0.693998
C 1.442206 0.326577 2.068749
C -0.956720 0.710997 1.885420
C 1.807025 2.463219 -1.044206
C -0.566064 2.624921 -1.446407
C 1.255571 -1.583082 -0.662649
C -2.988281 -1.471867 0.122621
C 0.095273 -3.610972 0.221077
C -1.316556 -3.197291 0.644537
H 3.064686 1.676098 1.545637
H 3.540450 -0.002786 1.914554
H -3.004330 1.213749 1.430449
H -1.821182 2.438390 0.933866
H 3.141413 1.070072 -2.011716
H 3.886624 2.089405 -0.752462
H -2.693768 2.463455 -1.639257
H -1.770918 1.174027 -2.470222
H 3.263096 -1.713304 0.090690
H 3.168387 -1.059151 -1.561895
H -3.025675 -0.456984 -1.762480
H -4.105074 0.252597 -0.519822
H 1.164858 -0.734674 1.902739
H 1.568113 0.491977 3.164820
H -1.200055 0.965931 2.944762
H -0.979523 -0.391622 1.773371
H 1.555288 2.796375 -0.015720
H 2.104342 3.354641 -1.647791
H -0.629335 3.409104 -2.236343
H -0.512671 3.143933 -0.465913
H 0.494457 -0.786180 -0.584149
H 1.109889 -2.115679 -1.626933
H -2.943769 -1.256799 1.213111
H -3.900282 -2.083454 -0.062567
H 0.412033 -4.472601 0.839524
H 0.078380 -3.923577 -0.845646
H -1.985986 -4.089681 0.653242
H -1.287200 -2.774017 1.673806


