%chk=000117034.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117034

0 1
 O    1.903600      -1.202100      0.9504000    
 O   -3.494500       2.905900      0.4685000    
 O   -5.232000       1.244100     -0.9255000    
 O   -3.118900      -3.215400     -0.8194000    
 O   -1.247900      -2.962900      0.3006000    
 O    6.690500       1.001600     -0.6648000    
 N   -2.307200      -2.500800     -0.1854000    
 C  -0.4548000     -0.8079000       1.276300    
 C   -1.725000     -0.2849000      0.6870000    
 C   0.7286000     -0.7214000      0.3098000    
 C   -2.597500      -1.119300     -1.2000000E-02
 C   -2.030000       1.066700      0.8460000    
 C   -3.207500       1.584200      0.3063000    
 C   -3.775000     -0.6019000     -0.5518000    
 C   -4.080000      0.7500000     -0.3927000    
 C    3.093800     -0.6545000      0.5489000    
 C    4.146600     -0.5581000       1.451900    
 C    3.236400     -0.2008000     -0.7575000    
 C    5.358200     -7.9999998E-04   1.042700    
 C    4.448000      0.3563000      -1.166600    
 C    5.508700      0.4564000     -0.2665000    
 C   -2.550600       3.689700       1.195600    
 C   -6.069200      0.3253000      -1.625200    
 C    6.775700       1.450500      -2.016500    
 H  -0.1915000     -0.1383000       2.112700    
 H  -0.5245000      -1.742700       1.839800    
 H   0.5454000      -1.321300     -0.5888000    
 H   0.8362000      0.3302000      9.6000005E-03
 H   -1.315400       1.672200       1.393200    
 H   -4.432400      -1.275300      -1.089500    
 H    4.033200     -0.9127000       2.472300    
 H    2.446100     -0.2875000      -1.496800    
 H    6.180900      7.4800000E-02   1.748500    
 H    4.499400      0.6856000      -2.198900    
 H   -1.583200       3.734800      0.6838000    
 H   -2.459500       3.352400       2.233700    
 H   -2.939400       4.713000       1.228100    
 H   -6.938400      0.8894000      -1.979700    
 H   -5.572200     -7.9499997E-02  -2.513500    
 H   -6.451300     -0.4593000     -0.9631000    
 H    7.782700       1.856400      -2.159400    
 H    6.071400       2.265600      -2.215100    
 H    6.661800      0.6219000      -2.723600    


%chk=000117034-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117034

0 1
O 1.978894 -0.361250 1.258991
O -4.119831 2.744946 0.701490
O -5.517899 1.106763 -0.838787
O -2.955485 -3.201556 -1.046317
O -0.853657 -2.757123 -0.296344
O 7.164987 0.385278 -0.821909
N -2.085206 -2.408704 -0.502340
C -0.413563 -0.532568 1.360063
C -1.753892 -0.202771 0.717163
C 0.773326 -0.221470 0.429247
C -2.523978 -1.052622 -0.122706
C -2.309382 1.073809 0.992759
C -3.546223 1.505193 0.468966
C -3.784035 -0.654553 -0.646714
C -4.304517 0.615246 -0.368756
C 3.223679 -0.153816 0.632910
C 4.358595 -0.299529 1.472841
C 3.396236 0.179460 -0.729206
C 5.648578 -0.113053 0.954777
C 4.699914 0.367055 -1.253442
C 5.826854 0.222078 -0.413313
C -3.386944 3.694890 1.550872
C -6.319364 0.209608 -1.681811
C 7.397673 0.719207 -2.226314
H -0.293651 0.083441 2.269826
H -0.347965 -1.592484 1.651676
H 0.800128 -0.937414 -0.413901
H 0.709225 0.815288 0.035904
H -1.742695 1.740146 1.650076
H -4.321549 -1.375911 -1.265324
H 4.204953 -0.562383 2.523812
H 2.537477 0.290990 -1.397722
H 6.533892 -0.223789 1.588060
H 4.811984 0.620908 -2.311832
H -2.402496 3.943435 1.111372
H -3.254450 3.293534 2.573298
H -4.021533 4.591490 1.580107
H -7.218733 0.788411 -1.934706
H -5.773772 -0.062906 -2.605450
H -6.602549 -0.707265 -1.130455
H 8.490290 0.797552 -2.327932
H 6.928651 1.686575 -2.495839
H 7.017333 -0.074535 -2.899690


