%chk=000039628.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039628

0 1
 O    1.839900      -4.325500      0.1031000    
 O  -0.3802000      -3.768100     -0.6402000    
 O  -0.2096000       2.922400      -1.100200    
 O   -5.674800      0.2378000      0.4177000    
 N   0.7797000       1.059300     -0.2888000    
 C    2.905600      0.5602000      0.2827000    
 C    2.029200       1.588100      2.7999999E-03
 C    4.328800      0.7847000      0.6721000    
 C    2.389800       3.042200      4.5100000E-02
 C    4.783600       2.212700      0.3346000    
 C    3.736100       3.251100      0.7602000    
 C    2.201300     -0.6607000      0.1442000    
 C   0.8856000     -0.3394000     -0.2473000    
 C    2.588100      -2.013300      0.2987000    
 C  -4.4799998E-02  -1.354600     -0.5609000    
 C  -0.3746000       1.815600     -0.5951000    
 C    1.642600      -2.980700      2.0300001E-02
 C   0.3795000      -2.662000     -0.4001000    
 C   -1.763300       1.401700     -0.3308000    
 C   0.5508000      -4.818400     -0.3124000    
 C   -2.046400      0.5693000      0.7509000    
 C   -2.791800       1.843200      -1.161800    
 C   -3.361400      0.1775000       1.002300    
 C   -4.106700       1.451400     -0.9104000    
 C   -4.391500      0.6185000      0.1715000    
 C   -5.895500     -0.6130000       1.541700    
 H    4.427500      0.6172000       1.751700    
 H    4.983700      6.5399997E-02  0.1676000    
 H    2.466100       3.418200     -0.9822000    
 H    1.621600       3.625000      0.5647000    
 H    5.739400       2.418900      0.8294000    
 H    4.955800       2.299100     -0.7459000    
 H    4.104800       4.262300      0.5540000    
 H    3.586900       3.181700       1.845600    
 H    3.593200      -2.281300      0.6072000    
 H   -1.032500      -1.147700     -0.9510000    
 H   0.6858000      -5.455800      -1.193700    
 H   0.1276000      -5.423100      0.4979000    
 H   -1.274100      0.2491000       1.444500    
 H   -2.590000       2.487600      -2.013300    
 H   -3.513500     -0.4615000       1.865500    
 H   -4.904900       1.797200      -1.561600    
 H   -5.625100     -0.1177000       2.480400    
 H   -5.391200      -1.577900       1.421200    
 H   -6.970200     -0.8174000       1.586200    


%chk=000039628-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039628

0 1
O 1.948521 -4.464517 0.104922
O -0.276699 -3.969762 -0.618816
O -0.152443 2.808777 -1.457947
O -5.754762 0.409119 0.497671
N 0.758348 0.984883 -0.316742
C 2.926032 0.553201 0.317034
C 2.030679 1.563822 -0.000245
C 4.352933 0.815793 0.735026
C 2.322515 3.039730 0.058563
C 4.749423 2.281974 0.419161
C 3.637932 3.270867 0.850119
C 2.239959 -0.718076 0.169269
C 0.886686 -0.438234 -0.232246
C 2.699225 -2.060492 0.309692
C -0.038407 -1.462794 -0.563002
C -0.353178 1.747675 -0.795879
C 1.771672 -3.054085 0.008040
C 0.450765 -2.761662 -0.420578
C -1.727947 1.298692 -0.435480
C 0.757222 -5.034002 -0.570323
C -2.018940 0.621856 0.776438
C -2.804990 1.679605 -1.285568
C -3.346509 0.310297 1.131957
C -4.128194 1.362240 -0.953314
C -4.405170 0.673318 0.258658
C -6.108427 -0.301139 1.732527
H 4.473789 0.621031 1.821530
H 5.041390 0.116720 0.219330
H 2.406244 3.450431 -0.965760
H 1.486884 3.593078 0.527496
H 5.699990 2.530485 0.927923
H 4.924504 2.388910 -0.669942
H 3.974539 4.313433 0.696950
H 3.444472 3.146687 1.934603
H 3.719292 -2.296673 0.621841
H -1.057389 -1.273819 -0.900532
H 1.029871 -5.318382 -1.606056
H 0.375891 -5.877394 0.023837
H -1.204652 0.346647 1.454209
H -2.577204 2.233662 -2.201791
H -3.542618 -0.204069 2.076926
H -4.964662 1.636555 -1.602547
H -5.811881 0.279832 2.626681
H -5.641028 -1.303789 1.764496
H -7.202775 -0.401130 1.699970


