%chk=000006245.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006245

0 1
 O    2.010300     -0.5191000     -0.9495000    
 O    1.161100       2.246100       1.184400    
 O    3.347700       2.171100     -0.4275000    
 O    3.854100      -2.556400     -0.3903000    
 N  -0.2044000     -0.3130000     -0.1232000    
 N   -1.743200       1.496200     -0.5433000    
 N   -4.073200      0.8573000     -0.2426000    
 N   -4.727800      -1.345800      0.4038000    
 C    1.047900      0.3925000     -0.3856000    
 C    1.699600      0.9816000      0.8561000    
 C    3.153400       1.047500      0.4314000    
 C    3.311300     -0.2302000     -0.3869000    
 C    3.746600      -1.422900      0.4530000    
 C   -1.464300      0.2251000     -0.2056000    
 C  -0.3014000      -1.632700      0.2479000    
 C   -2.380800     -0.7676000      0.1183000    
 C   -1.636200      -1.940500      0.4043000    
 C   -3.727500     -0.4082000      9.0000004E-02
 C   -3.073100       1.719100     -0.5346000    
 H   0.8327000       1.155400      -1.143900    
 H    1.584800      0.3166000       1.719800    
 H    3.847600       1.143500       1.271000    
 H    3.996000     -0.1010000      -1.232800    
 H    3.022500      -1.660200       1.238500    
 H    4.721600      -1.243800      0.9156000    
 H   0.5784000      -2.247900      0.3784000    
 H    1.314200       2.842700      0.4320000    
 H    4.275800       2.156800     -0.7178000    
 H   -2.023700      -2.907400      0.6948000    
 H    2.983200      -2.702400     -0.7977000    
 H   -3.383300       2.724900     -0.7969000    
 H   -4.484900      -2.294400      0.6549000    
 H   -5.696600      -1.058100      0.3762000    


%chk=000006245-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006245

0 1
O 1.878883 -0.441962 -0.907656
O 1.414679 2.057110 1.786258
O 3.288244 2.316076 -0.073103
O 3.675030 -2.543094 -1.009997
N -0.237439 -0.247693 0.195381
N -1.758236 1.266908 -1.003920
N -4.114377 0.604309 -0.885135
N -4.876665 -1.292523 0.256996
C 0.990257 0.450582 -0.106976
C 1.853523 0.851652 1.127052
C 3.272800 0.964410 0.511072
C 3.304975 -0.151557 -0.552307
C 3.913027 -1.473129 -0.047590
C -1.500778 0.160686 -0.249728
C -0.392061 -1.433455 0.939341
C -2.460700 -0.780908 0.234925
C -1.738193 -1.787237 0.982551
C -3.817460 -0.499883 -0.124371
C -3.084154 1.414478 -1.279868
H 0.713721 1.341309 -0.700906
H 1.823257 0.054290 1.888681
H 4.073644 0.857498 1.268776
H 3.813678 0.171018 -1.480320
H 3.486061 -1.728995 0.948512
H 5.010069 -1.390398 0.047237
H 0.471864 -1.948060 1.355157
H 1.731005 2.821116 1.231635
H 4.170043 2.521616 -0.467068
H -2.136450 -2.665238 1.488790
H 2.718992 -2.483677 -1.277392
H -3.363422 2.281746 -1.885190
H -4.745371 -2.124599 0.824062
H -5.810044 -1.017596 -0.042699


