%chk=000036589.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036589

0 1
 O    3.985700       2.874900     -0.6309000    
 O   -3.612700       3.172000     -0.1625000    
 O   0.2977000      -1.460400       2.783200    
 O   -2.198400      -1.557500       1.800800    
 O   0.8576000      -3.548100      -2.116400    
 N    3.148600      0.3091000      0.2733000    
 N   -3.082600      0.3759000     -0.1167000    
 C    2.188100       1.291500     -0.2477000    
 C    4.297600      0.9991000      0.8760000    
 C   -2.077600       1.341200     -0.5830000    
 C   -4.434100      0.8979000     -0.3627000    
 C    2.509200     -0.5782000       1.242700    
 C   -2.899900     -0.9192000     -0.7688000    
 C    2.880900       2.212700      -1.247800    
 C    4.940500       1.928200     -0.1498000    
 C   -2.295700       2.687200      0.1022000    
 C   -4.597000       2.254800      0.3163000    
 C    1.361600      -1.339300      0.6201000    
 C   -1.534300      -1.495300     -0.4752000    
 C   0.1322000      -1.433000       1.400900    
 C   -1.123300      -1.489800      0.9218000    
 C    1.546400      -1.894000     -0.5888000    
 C  -0.8257000      -2.027600      -1.483600    
 C   0.5354000      -2.602200      -1.403600    
 H    1.349800      0.8250000     -0.7729000    
 H    1.777400       1.893900      0.5737000    
 H    3.976500       1.585800       1.746600    
 H    5.044300      0.2712000       1.213400    
 H   -2.154400       1.473000      -1.670500    
 H   -1.055800       1.026400     -0.3546000    
 H   -5.186700      0.2084000      3.6499999E-02
 H   -4.610300       1.007200      -1.440800    
 H    3.233500      -1.308600       1.627500    
 H    2.170200      1.2500000E-02   2.104200    
 H   -3.655600      -1.627000     -0.4015000    
 H   -3.065000     -0.8277000      -1.851400    
 H    3.229100       1.663100      -2.130900    
 H    2.182400       2.982700      -1.590900    
 H    5.758500       2.487700      0.3151000    
 H    5.359600       1.369100     -0.9953000    
 H   -2.140400       2.619600       1.185900    
 H   -1.586200       3.423600     -0.2886000    
 H   -5.581800       2.672200      8.3600000E-02
 H   -4.520800       2.172800       1.407500    
 H    2.528200      -1.869300      -1.057700    
 H   -1.261500      -2.078000      -2.479400    
 H  -0.4890000      -1.084600       3.209900    
 H   -1.901300      -1.928100       2.647100    


%chk=000036589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036589

0 1
O 6.138680 1.841761 -0.138351
O -5.768293 2.334618 -0.607597
O 0.259768 -0.631885 2.739027
O -2.088113 -1.034319 1.932881
O 0.844450 -0.732708 -3.140345
N 3.794588 0.275541 0.528982
N -3.854757 0.183325 -0.336735
C 3.689201 1.730454 0.238959
C 5.128031 -0.065119 1.088014
C -3.912133 0.994145 -1.574330
C -5.167743 0.121955 0.347789
C 2.673588 -0.237048 1.321836
C -3.204746 -1.136467 -0.521797
C 4.818986 2.158993 -0.710431
C 6.228857 0.395575 0.116631
C -4.448200 2.399914 -1.257956
C -5.667360 1.547616 0.633366
C 1.368105 -0.450310 0.521889
C -1.683866 -0.985688 -0.431596
C 0.172465 -0.627777 1.309977
C -1.151128 -0.863174 0.909278
C 1.464154 -0.505606 -0.859331
C -0.964076 -0.949959 -1.614671
C 0.463011 -0.731984 -1.908293
H 2.711821 1.935753 -0.233877
H 3.752722 2.327740 1.182940
H 5.295744 0.421593 2.081271
H 5.194027 -1.161306 1.223577
H -4.567234 0.513835 -2.345171
H -2.895108 1.080246 -2.001229
H -5.042498 -0.423162 1.301577
H -5.933828 -0.413740 -0.267509
H 2.973640 -1.211099 1.758986
H 2.477478 0.453538 2.194924
H -3.558252 -1.807052 0.278791
H -3.470204 -1.600345 -1.500486
H 4.698644 1.646471 -1.688427
H 4.816144 3.250436 -0.862002
H 7.229700 0.231747 0.548590
H 6.137563 -0.162052 -0.839955
H -3.730943 2.929072 -0.593917
H -4.601986 2.983646 -2.180484
H -6.684230 1.536951 1.059512
H -4.968532 2.048569 1.337832
H 2.479418 -0.375483 -1.256808
H -1.540715 -1.102380 -2.538524
H 1.104543 -0.236640 3.066267
H -1.610486 -0.927392 2.803227


