%chk=000156266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156266

0 1
 O    3.104600      -1.027500      0.6564000    
 O    2.869800      -2.253400      -1.286700    
 C    2.713300       1.030900     -0.5870000    
 C    1.813300       1.476400      0.5850000    
 C    3.363100       2.197800      -1.364000    
 C   0.6483000       2.374600      0.1566000    
 C    3.751100      1.8400000E-02 -7.5700000E-02
 C   -1.677800      -2.228300      9.5500000E-02
 C   -2.470900     -0.9222000      0.1825000    
 C  -0.2161000      -2.019200      0.4949000    
 C   -3.924900      -1.127800     -0.2484000    
 C   0.5840000      -3.316300      0.3758000    
 C  -0.2281000       2.824700       1.328700    
 C    2.032400      -3.115900      0.8052000    
 C   -4.758600      0.1562000     -0.2103000    
 C    4.264800       3.103500     -0.5364000    
 C    2.716100      -2.106900     -8.1000000E-02
 C   -6.204900     -4.4199999E-02 -0.6647000    
 C   -1.371400       3.737700      0.9135000    
 C   -7.008100       1.241700     -0.5398000    
 H    2.062700      0.4988000      -1.294900    
 H    2.414200       1.993100       1.343000    
 H    1.382400      0.6020000       1.086000    
 H    3.958400       1.778600      -2.185300    
 H    2.587700       2.806100      -1.842400    
 H   2.9200001E-02   1.841500     -0.5753000    
 H    1.031000       3.272300     -0.3405000    
 H    4.360900     -0.3807000     -0.8953000    
 H    4.442900      0.4959000      0.6258000    
 H   -1.725100      -2.618000     -0.9287000    
 H   -2.134600      -2.980800      0.7497000    
 H   -2.442400     -0.5388000       1.209500    
 H   -2.004500     -0.1642000     -0.4583000    
 H   0.2146000      -1.247500     -0.1529000    
 H  -0.1665000      -1.645200       1.524800    
 H   -4.392200      -1.878300      0.4010000    
 H   -3.945400      -1.534200      -1.267300    
 H   0.5469000      -3.677200     -0.6594000    
 H   0.1299000      -4.091300       1.004400    
 H  -0.6436000       1.942400       1.830200    
 H   0.3917000       3.348000       2.066400    
 H   -4.282600      0.9135000     -0.8456000    
 H   -4.751000      0.5527000      0.8128000    
 H    2.591600      -4.055500      0.7387000    
 H    2.077900      -2.792400       1.851600    
 H    5.101000       2.552100     -9.7999997E-02
 H    3.711400       3.596900      0.2674000    
 H    4.686800       3.887400      -1.174000    
 H   -6.222700     -0.3855000      -1.706000    
 H   -6.679500     -0.8244000     -5.8499999E-02
 H  -0.9918000       4.648800      0.4405000    
 H   -2.034800       3.232600      0.2041000    
 H   -1.963500       4.027500       1.787100    
 H   -7.036500       1.587600      0.4984000    
 H   -8.038200       1.078500     -0.8717000    
 H   -6.574400       2.036200      -1.155500    


%chk=000156266-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156266

0 1
O 3.145327 -1.062055 0.876671
O 3.205231 -2.123285 -1.202788
C 2.852617 1.064261 -0.425015
C 1.820918 1.656016 0.571754
C 3.632472 2.136627 -1.243241
C 0.615096 2.345028 -0.107222
C 3.846484 0.119761 0.283238
C -1.675092 -2.204682 -0.046902
C -2.535269 -0.965845 0.291635
C -0.225041 -2.086487 0.471602
C -3.979540 -1.047533 -0.251053
C 0.638487 -3.327722 0.154957
C -0.467774 2.797991 0.899423
C 2.089247 -3.222299 0.704852
C -4.835730 0.187827 0.109082
C 4.533362 3.083430 -0.415483
C 2.864576 -2.120367 0.004233
C -6.276731 0.120245 -0.446114
C -1.681253 3.466333 0.217691
C -7.123589 1.356854 -0.074707
H 2.299851 0.446145 -1.162852
H 2.323160 2.374554 1.252010
H 1.445194 0.834767 1.214611
H 4.254542 1.614507 -1.998153
H 2.902986 2.740600 -1.816434
H 0.159181 1.643239 -0.838321
H 0.953637 3.224866 -0.691254
H 4.610852 -0.247138 -0.426218
H 4.325453 0.594161 1.155450
H -1.661346 -2.353949 -1.146727
H -2.149664 -3.111000 0.384636
H -2.565087 -0.832218 1.393641
H -2.043431 -0.057187 -0.116714
H 0.243234 -1.183808 0.028132
H -0.237725 -1.920591 1.569095
H -4.469609 -1.961352 0.146013
H -3.950840 -1.165314 -1.354641
H 0.681587 -3.490418 -0.939586
H 0.165733 -4.227357 0.596416
H -0.808863 1.918967 1.483941
H -0.016515 3.500584 1.629727
H -4.339181 1.104193 -0.275361
H -4.874497 0.297960 1.213328
H 2.619005 -4.174979 0.518296
H 2.077302 -3.031336 1.791187
H 5.331765 2.532666 0.114983
H 3.953972 3.646914 0.338526
H 5.025253 3.821803 -1.074649
H -6.237069 0.014740 -1.549632
H -6.770833 -0.796587 -0.064156
H -1.371229 4.357096 -0.360908
H -2.174223 2.766158 -0.483794
H -2.436310 3.788817 0.958098
H -7.202111 1.467142 1.023555
H -8.149188 1.284590 -0.481387
H -6.666883 2.283369 -0.471572


