%chk=000017920.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017920

0 1
 O   -1.141400      0.4998000     -0.7222000    
 O   0.5728000      0.7217000       1.312400    
 O   0.5687000       1.620500      -1.774800    
 N   -4.997900      2.6500000E-02  0.5827000    
 C   -3.931800      0.9245000      0.1389000    
 C    1.074400      0.1278000      9.7700000E-02
 C   -3.482800      0.5947000      -1.292000    
 C   -2.075200       1.083300      -1.623000    
 C    2.564400      0.4372000     -6.6900000E-02
 C   0.8305000      -1.382800      0.1248000    
 C   -4.435500       2.364900      0.2216000    
 C   0.1735000      0.8536000     -0.9048000    
 C   -4.444800      -1.270100      0.9714000    
 C   -5.997900     -0.1392000     -0.4713000    
 C    3.110700      0.5780000      -1.342700    
 C   0.8521000      -2.071000       1.337900    
 C    3.376000      0.5788000       1.058700    
 C   0.5863000      -2.071400      -1.063400    
 C   0.7378000       2.125400       1.288800    
 C    4.468400      0.8602000      -1.492900    
 C   0.6296000      -3.447800       1.362800    
 C    4.733800      0.8611000      0.9085000    
 C   0.3637000      -3.448300      -1.038500    
 C    5.279900       1.001900     -0.3674000    
 C   0.3853000      -4.136400      0.1747000    
 C   0.1997000       2.706900       2.578800    
 H   -3.089200      0.8489000      0.8380000    
 H   -4.174500       1.008600      -2.036400    
 H   -3.448800     -0.4897000      -1.448800    
 H   -1.822000      0.7890000      -2.648300    
 H   -2.025900       2.175400      -1.548200    
 H   -3.610100       3.066000      5.4900002E-02
 H   -4.842000       2.582400       1.216200    
 H   -5.208100       2.596800     -0.5180000    
 H   -3.709500      -1.153300       1.775700    
 H   -3.970300      -1.815500      0.1495000    
 H   -5.239400      -1.908000       1.375800    
 H   -6.406700      0.8127000     -0.8237000    
 H   -6.856700     -0.6825000     -5.7100002E-02
 H   -5.657600     -0.7217000      -1.334500    
 H    2.527700      0.4188000      -2.244200    
 H    1.048100      -1.558600       2.275600    
 H    2.983200      0.4517000       2.063800    
 H   0.5755000      -1.559900      -2.021800    
 H   0.1542000       2.616500      0.5039000    
 H    1.773600       2.457700       1.193400    
 H    4.897000      0.9563000      -2.486300    
 H   0.6484000      -3.984100       2.307000    
 H    5.367100      0.9655000       1.784500    
 H   0.1762000      -3.985100      -1.963800    
 H    6.337900       1.217200     -0.4844000    
 H   0.2130000      -5.208600      0.1940000    
 H   0.2971000       3.796500       2.591000    
 H   0.7382000       2.296400       3.439500    
 H  -0.8561000       2.446500       2.709300    


%chk=000017920-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017920

0 1
O -1.122364 0.367673 -0.943631
O 0.642993 0.809237 1.276689
O 0.454867 1.702108 -1.990031
N -5.025755 -0.021150 0.657197
C -3.875552 0.748894 0.100255
C 1.107068 0.254132 -0.019854
C -3.511525 0.355167 -1.368688
C -2.176237 0.918652 -1.854065
C 2.601077 0.574042 -0.231785
C 0.887481 -1.272747 0.075017
C -4.108260 2.268488 0.251654
C 0.162985 0.851387 -1.117100
C -4.712541 -1.427755 0.971160
C -6.306425 0.119619 -0.060204
C 3.190525 0.838879 -1.492441
C 0.038511 -1.819050 1.066619
C 3.438924 0.500134 0.912754
C 1.515912 -2.137990 -0.853715
C 0.637698 2.287587 1.364849
C 4.587685 1.033066 -1.600597
C -0.174487 -3.213795 1.129667
C 4.830478 0.697768 0.804194
C 1.290241 -3.531077 -0.798332
C 5.413308 0.964971 -0.457202
C 0.444788 -4.075778 0.195264
C 0.262234 2.634075 2.804690
H -3.006149 0.479361 0.731003
H -4.297788 0.718052 -2.061240
H -3.478330 -0.747626 -1.455995
H -1.934284 0.598295 -2.884165
H -2.129097 2.021830 -1.816333
H -3.175795 2.833514 0.070451
H -4.447473 2.486149 1.278900
H -4.870139 2.647842 -0.455258
H -3.771611 -1.478701 1.547998
H -4.597442 -2.089520 0.075298
H -5.521384 -1.853372 1.594289
H -6.555438 1.185885 -0.196724
H -7.111515 -0.335557 0.545960
H -6.325487 -0.374157 -1.064598
H 2.565741 0.922871 -2.384423
H -0.439152 -1.144041 1.780515
H 2.982926 0.285680 1.885550
H 2.195620 -1.730235 -1.609998
H -0.106027 2.702798 0.652342
H 1.636560 2.684031 1.095564
H 5.027072 1.242986 -2.582420
H -0.826829 -3.627804 1.907361
H 5.460083 0.637943 1.699227
H 1.782597 -4.189594 -1.522823
H 6.494976 1.116985 -0.546009
H 0.275481 -5.157508 0.243668
H 0.216853 3.730998 2.932472
H 1.007662 2.230807 3.511812
H -0.724660 2.211254 3.061613


