%chk=000114525.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114525

0 1
 O   0.7049000     -0.3886000     -0.1726000    
 O   0.5292000       1.506600       1.136500    
 O   -5.373700      0.7513000      0.9536000    
 O   -5.255700      -1.160500     -0.2822000    
 C   -2.451400      0.8363000      0.4831000    
 C   -1.201000      0.9493000     -0.4529000    
 C   -3.577400      0.5590000     -0.5483000    
 C   -1.425300     -0.1908000      -1.463100    
 C   -2.941100     -0.3274000      -1.623400    
 C   -2.747400       2.115500       1.282400    
 C   -2.310300     -0.3306000       1.494900    
 C   -1.074100       2.290200      -1.196200    
 C   0.1015000      0.7486000      0.2765000    
 C   -4.810700     -6.6299997E-02  3.0600000E-02
 C    1.960100     -0.7016000      0.4394000    
 C    2.451300      -2.054900     -9.7499996E-02
 C    2.907600      0.4447000      0.1722000    
 C    1.521900      -3.217300      0.2611000    
 C    2.098800      -4.552900     -0.2095000    
 C    3.889300      0.7438000       1.102700    
 C    2.776500       1.174000     -0.9983000    
 C    1.166400      -5.708400      0.1176000    
 C    4.764000       1.801800      0.8560000    
 C    3.651500       2.232000      -1.244900    
 C    4.645200       2.545900     -0.3177000    
 H   -3.898700       1.490700      -1.033900    
 H  -0.9415000     -2.4999999E-03  -2.428700    
 H   -1.075600      -1.173200      -1.125400    
 H   -3.224400      -1.383300      -1.554000    
 H   -3.249800      1.4500000E-02  -2.618500    
 H   -3.544500       1.970400       2.018000    
 H   -1.864200       2.439700       1.842900    
 H   -3.049800       2.943700      0.6331000    
 H   -3.206800     -0.4411000       2.114600    
 H   -1.479100     -0.1586000       2.187500    
 H   -2.136700      -1.291000      0.9992000    
 H  -0.9032000       3.123900     -0.5062000    
 H  -0.2216000       2.276000      -1.886100    
 H   -1.965200       2.521300      -1.788000    
 H    1.789400     -0.7953000       1.521000    
 H   -6.182600      0.3589000       1.345800    
 H    2.540600      -2.004500      -1.190600    
 H    3.455100      -2.258800      0.2963000    
 H   0.5377000      -3.060300     -0.1959000    
 H    1.372700      -3.246600       1.347300    
 H    3.070400      -4.727900      0.2669000    
 H    2.268300      -4.524300      -1.292200    
 H    3.990200      0.1687000       2.018500    
 H    2.035800      0.9338000      -1.755200    
 H   0.1958000      -5.580100     -0.3721000    
 H    1.598400      -6.653200     -0.2267000    
 H   0.9996000      -5.784200       1.196900    
 H    5.538400       2.045800       1.577500    
 H    3.563900       2.806800      -2.162200    
 H    5.327500       3.368500     -0.5107000    


%chk=000114525-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114525

0 1
O 0.825940 -0.178299 -0.254897
O 0.406270 1.254666 1.528790
O -5.711105 0.231006 0.631722
O -5.007505 -1.434618 -0.815198
C -2.504512 0.510006 0.534330
C -1.262401 1.103168 -0.285963
C -3.647891 0.628297 -0.563247
C -1.430227 0.468274 -1.696275
C -2.965947 0.377591 -1.940436
C -2.846878 1.298815 1.816019
C -2.246886 -0.976239 0.905303
C -1.310889 2.655804 -0.385993
C 0.050608 0.756941 0.431005
C -4.810932 -0.307423 -0.306803
C 2.171321 -0.529661 0.361075
C 2.444642 -1.985479 -0.047009
C 3.206871 0.478282 -0.113236
C 1.452122 -2.995470 0.568285
C 1.740486 -4.452274 0.141338
C 3.780169 1.386176 0.810806
C 3.612025 0.531769 -1.472222
C 0.749640 -5.462521 0.758572
C 4.754410 2.320037 0.391682
C 4.579213 1.468717 -1.894641
C 5.157471 2.363046 -0.962469
H -4.047306 1.657058 -0.502781
H -0.918718 1.075390 -2.463533
H -0.969683 -0.531400 -1.722708
H -3.249238 -0.615109 -2.329843
H -3.307583 1.127205 -2.675824
H -3.704003 0.831457 2.332205
H -1.981590 1.312888 2.502151
H -3.127735 2.343167 1.594296
H -3.125892 -1.401152 1.422449
H -1.389891 -1.058581 1.597709
H -2.044156 -1.604648 0.021224
H -1.195065 3.126588 0.603209
H -0.488595 3.015280 -1.031230
H -2.261376 2.994101 -0.835173
H 2.049324 -0.447712 1.457297
H -6.446083 -0.424800 0.782771
H 2.425942 -2.069728 -1.151243
H 3.477131 -2.233208 0.271688
H 0.420730 -2.722630 0.271137
H 1.492084 -2.925027 1.675740
H 2.776443 -4.722734 0.432012
H 1.699670 -4.522453 -0.964983
H 3.447506 1.369606 1.854912
H 3.162555 -0.152081 -2.201246
H -0.289967 -5.230882 0.459256
H 0.971847 -6.496271 0.436191
H 0.793363 -5.436353 1.863794
H 5.190709 3.016421 1.116426
H 4.883440 1.503749 -2.946906
H 5.910324 3.088750 -1.290434


