%chk=000094037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094037

0 1
 O    2.363400      -2.229900     -3.5000001E-03
 O    2.465700      -1.436000       2.161900    
 O   0.4590000       2.234700     -0.2839000    
 O    1.940600       4.002400     -0.2510000    
 C  -6.1999999E-02  -2.266400      0.1103000    
 C  -0.3041000      -2.103000      -1.405000    
 C   -1.251700      -2.885900      0.8775000    
 C   -1.507400      -1.216100      -1.741700    
 C    1.247000      -3.040700      0.3363000    
 C   -1.749000      -1.074400      -3.247000    
 C   -1.660100      -4.280000      0.4217000    
 C   -2.957600     -0.2163000      -3.587700    
 C    4.051800     -0.6579000      0.5175000    
 C    3.639800      0.7330000      4.2500000E-02
 C    2.880100      -1.470900       1.010400    
 C    2.691000      0.6816000      -1.161600    
 C    2.335100       2.074800      -1.681200    
 C    1.581500       2.910600     -0.6701000    
 C  -0.3471000       2.890400      0.7002000    
 C   -1.533200       2.027400       1.015900    
 C   -2.713200       2.169300      0.2854000    
 C   -1.456100       1.083000       2.039600    
 C   -3.815800       1.366900      0.5786000    
 C   -2.558900      0.2806000       2.332800    
 C   -3.738700      0.4226000       1.602100    
 H   7.5900003E-02  -1.255400      0.5172000    
 H  -0.4383000      -3.087100      -1.870400    
 H   0.5858000      -1.666900      -1.874700    
 H   -2.123900      -2.228700      0.8092000    
 H  -0.9951000      -2.930900       1.943500    
 H   -1.353200     -0.2219000      -1.307200    
 H   -2.416700      -1.627500      -1.291000    
 H    1.284300      -3.932400     -0.2997000    
 H    1.325900      -3.398500       1.370200    
 H   -1.886500      -2.068800      -3.688200    
 H  -0.8599000     -0.6376000      -3.717200    
 H   -2.475500      -4.653300       1.049800    
 H   -2.016100      -4.275400     -0.6125000    
 H  -0.8286000      -4.986300      0.5004000    
 H   -3.082000     -0.1472000      -4.672700    
 H   -2.839200      0.7975000      -3.191900    
 H   -3.872000     -0.6447000      -3.165300    
 H    4.566100      -1.209100     -0.2784000    
 H    4.769500     -0.5769000       1.342300    
 H    4.541300       1.297000     -0.2249000    
 H    3.158300       1.265900      0.8711000    
 H    3.161700      0.1135000      -1.972800    
 H    1.771000      0.1559000     -0.8914000    
 H    3.246600       2.615800      -1.959900    
 H    1.717400       1.999700      -2.583400    
 H   0.2453000       3.065300       1.607000    
 H  -0.6785000       3.864400      0.3190000    
 H   -2.784300       2.898700     -0.5170000    
 H  -0.5409000      0.9595000       2.612500    
 H   -4.733600       1.475600      8.1000002E-03
 H   -2.497900     -0.4567000       3.128000    
 H   -4.596400     -0.2038000       1.829000    


%chk=000094037-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094037

0 1
O 2.044911 -2.349337 -0.011326
O 1.601641 -0.575592 1.435194
O 0.607536 3.302220 0.383874
O 2.592144 4.287338 1.120104
C -0.449255 -2.611179 -0.217844
C -0.374559 -2.882810 -1.743114
C -1.693168 -3.242695 0.476848
C -1.564472 -2.310847 -2.546733
C 0.835620 -3.071514 0.501132
C -1.376264 -2.446945 -4.075465
C -1.828706 -4.777682 0.344068
C -2.573981 -1.897995 -4.880306
C 3.596694 -0.514712 -0.028690
C 3.576924 1.029424 -0.058525
C 2.318377 -1.103572 0.551154
C 2.582961 1.592273 -1.099587
C 2.497685 3.144021 -1.078464
C 1.952505 3.658652 0.244569
C -0.039187 3.638341 1.699609
C -1.251241 2.753813 1.863061
C -2.549774 3.318592 1.897284
C -1.100083 1.349129 2.002895
C -3.687447 2.497675 2.073740
C -2.237443 0.529515 2.170351
C -3.532905 1.099479 2.209817
H -0.528275 -1.514066 -0.070062
H -0.294337 -3.974279 -1.928038
H 0.565333 -2.439424 -2.129077
H -2.601796 -2.763870 0.064824
H -1.668575 -2.973345 1.553275
H -1.700940 -1.239192 -2.289866
H -2.504829 -2.822289 -2.255840
H 1.070963 -4.129057 0.297459
H 0.760886 -2.895127 1.589897
H -1.215837 -3.514914 -4.329707
H -0.450613 -1.914690 -4.375965
H -2.737081 -5.130892 0.865364
H -1.911347 -5.088650 -0.713006
H -0.967250 -5.311240 0.786157
H -2.412894 -2.000820 -5.969251
H -2.739484 -0.825946 -4.662306
H -3.504878 -2.438504 -4.623910
H 3.764708 -0.945196 -1.031832
H 4.432629 -0.865930 0.609562
H 4.596671 1.398269 -0.282306
H 3.316641 1.400257 0.950340
H 2.888474 1.271343 -2.115181
H 1.571107 1.184886 -0.915660
H 3.495625 3.591303 -1.227243
H 1.831668 3.481914 -1.893081
H 0.718653 3.482046 2.488702
H -0.306497 4.709736 1.678857
H -2.672465 4.403057 1.784401
H -0.102163 0.896701 1.970552
H -4.686793 2.946217 2.102405
H -2.112833 -0.554197 2.278967
H -4.412385 0.459808 2.346626


