%chk=000076979.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076979

0 1
 O  -0.3154000      -2.306200     -0.7016000    
 O   -3.170300       2.047500      0.4981000    
 O    1.784700       4.538100      -1.069500    
 N    1.915200     -0.9641000     -0.8807000    
 N   -1.102200       3.605600      0.3828000    
 N    2.193700       4.174100       1.157300    
 C    3.312200      -1.036800     -0.5141000    
 C    3.491100     -0.9084000       1.002400    
 C    3.954200      -2.324100      -1.042200    
 C    3.018700      -2.152700       1.754500    
 C    3.481000      -3.566100     -0.2867000    
 C    3.679500      -3.419200       1.218700    
 C    1.095900      0.1423000     -0.5585000    
 C  -0.2815000      3.4600001E-02 -0.3325000    
 C   -1.027000       1.173100     -1.9300001E-02
 C    1.721800       1.386000     -0.4702000    
 C  -0.3950000       2.419200      6.8599999E-02
 C  -0.9355000      -1.286600     -0.4274000    
 C   0.9779000       2.522100     -0.1574000    
 C   -2.481100       1.073900      0.2212000    
 C   -2.389700      -1.385800     -0.1870000    
 C   -3.135300     -0.2472000      0.1259000    
 C   -3.021600      -2.632100     -0.2740000    
 C    1.674300       3.801200     -7.6700002E-02
 C   -4.512700     -0.3549000      0.3519000    
 C   -4.394500      -2.734800     -4.7899999E-02
 C   -5.138400      -1.598700      0.2643000    
 H    3.855900     -0.2214000      -1.005500    
 H    2.987500     -3.0400001E-02   1.418000    
 H    4.559800     -0.7667000       1.212600    
 H    5.044700      -2.247100     -0.9439000    
 H    3.739600      -2.446500      -2.110800    
 H    1.928900      -2.244500       1.672900    
 H    3.248000      -2.044700       2.820800    
 H    4.034400      -4.442200     -0.6439000    
 H    2.422600      -3.756500     -0.4997000    
 H    4.753000      -3.392700       1.443300    
 H    3.268200      -4.295500       1.732300    
 H    1.440400      -1.831200      -1.100600    
 H    2.782900       1.515900     -0.6607000    
 H   -2.466100      -3.534300     -0.5155000    
 H   -5.117400      0.5140000      0.5970000    
 H  -0.6226000       4.493300      0.4429000    
 H   -2.096900       3.580400      0.5556000    
 H   -4.884100      -3.702000     -0.1154000    
 H   -6.207200      -1.681600      0.4398000    
 H    2.104900       3.585700       1.979700    
 H    2.681900       5.055800       1.273300    


%chk=000076979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076979

0 1
O -0.364290 -2.385467 -0.353737
O -3.469538 2.176542 0.125352
O 0.937173 5.043337 0.118362
N 1.790227 -0.984844 -0.346142
N -1.360111 3.662946 0.182379
N 2.837501 3.907795 0.753523
C 3.263241 -1.020296 -0.400601
C 3.906344 -0.908792 1.015815
C 3.710744 -2.336995 -1.088814
C 3.614290 -2.154954 1.884557
C 3.435185 -3.589878 -0.220258
C 4.079118 -3.452320 1.180021
C 1.008461 0.133298 -0.171642
C -0.434062 0.029182 -0.121651
C -1.237746 1.222463 0.005133
C 1.597768 1.433703 -0.036817
C -0.613647 2.524621 0.102893
C -1.064383 -1.293833 -0.225516
C 0.842421 2.598002 0.123231
C -2.705327 1.131146 0.027382
C -2.540550 -1.385130 -0.186930
C -3.335359 -0.210095 -0.065578
C -3.168931 -2.655197 -0.278047
C 1.522607 3.923202 0.319052
C -4.749982 -0.320013 -0.035604
C -4.571267 -2.754629 -0.246985
C -5.365066 -1.581934 -0.125005
H 3.617519 -0.172057 -1.023857
H 3.538752 0.001954 1.528509
H 5.002531 -0.794102 0.887266
H 4.799873 -2.265002 -1.280228
H 3.212255 -2.425328 -2.072789
H 2.525533 -2.213929 2.082784
H 4.113896 -2.051050 2.866776
H 3.829572 -4.485486 -0.736968
H 2.343796 -3.750286 -0.111256
H 5.184239 -3.435317 1.074768
H 3.829482 -4.332932 1.802046
H 1.227888 -1.863250 -0.413598
H 2.686346 1.510996 -0.104490
H -2.530922 -3.538804 -0.373418
H -5.333425 0.600819 0.057237
H -0.860175 4.561656 0.156777
H -2.387873 3.529449 0.187335
H -5.053510 -3.735702 -0.317777
H -6.457378 -1.661996 -0.101511
H 3.306181 3.066679 1.080928
H 3.299003 4.809634 0.869296


