%chk=000044450.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044450

0 1
 O   8.3499998E-02   2.061100     -0.1089000    
 O    2.507900       1.867100      -1.407200    
 O   -1.542500      0.3616000     -0.3496000    
 N    3.471900     -0.5324000     -0.1716000    
 N    4.332400      -2.668700     -0.4108000    
 N    5.441400      -1.259200      0.9959000    
 C    2.452600       1.698400      9.6000005E-03
 C    1.073900       1.162200      0.3808000    
 C    3.590900      0.7856000      0.4600000    
 C   -1.241500       1.634700      0.2223000    
 C   -2.808300     -0.1242000     -0.1563000    
 C    4.373800      -1.409000      0.1389000    
 C   -3.729100      0.6219000      0.5713000    
 C   -3.160800      -1.359400     -0.6890000    
 C   -5.018000      0.1265000      0.7689000    
 C   -4.449800      -1.854600     -0.4916000    
 C   -5.378300      -1.111600      0.2373000    
 H    2.579100       2.694600      0.4493000    
 H   0.9168000      0.1822000     -8.3300002E-02
 H   0.9842000       1.064300       1.468700    
 H    4.543600       1.243200      0.1656000    
 H    3.564400      0.6933000       1.552400    
 H   -1.903000       2.403000     -0.1929000    
 H   -1.325000       1.608100       1.316000    
 H    3.382200       2.232900      -1.625000    
 H   -3.517600       1.588300       1.014800    
 H   -2.440600      -1.941400      -1.257100    
 H   -5.741800      0.7038000       1.337000    
 H   -4.730500      -2.818800     -0.9054000    
 H   -6.381900      -1.497300      0.3911000    
 H    3.601700      -2.931600      -1.063100    
 H    5.027800      -3.370400     -0.1818000    
 H    6.088100      -2.022600       1.163200    
 H    5.623600     -0.3913000       1.487000    


%chk=000044450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044450

0 1
O 0.104760 2.035234 0.024383
O 2.606386 1.344481 -1.632880
O -1.731094 0.666412 -0.535154
N 3.464132 -0.609827 0.582354
N 4.324504 -2.769721 0.277541
N 5.862221 -1.043254 0.650656
C 2.467195 1.530694 -0.177893
C 1.106765 0.951777 0.199956
C 3.617586 0.848384 0.605223
C -1.200821 1.671460 0.423354
C -2.982444 0.097779 -0.256147
C 4.507444 -1.400109 0.517007
C -3.826867 0.497504 0.813059
C -3.392590 -0.935219 -1.137970
C -5.073808 -0.148022 0.989597
C -4.637429 -1.565301 -0.948521
C -5.487200 -1.178436 0.118195
H 2.468821 2.614439 0.073308
H 0.868499 0.100508 -0.456893
H 1.098236 0.612060 1.255733
H 4.585033 1.219510 0.178372
H 3.568033 1.219312 1.654524
H -1.813157 2.590631 0.377408
H -1.224124 1.215146 1.441243
H 3.391024 1.859073 -1.950817
H -3.538654 1.301095 1.497923
H -2.723189 -1.219720 -1.955750
H -5.723297 0.164192 1.815629
H -4.946180 -2.361776 -1.635046
H -6.454416 -1.671191 0.262480
H 3.364709 -3.048132 0.080209
H 4.934282 -3.445555 0.735213
H 6.579864 -1.593808 0.183886
H 6.106878 -0.109318 0.966316


