%chk=000155519.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155519

0 1
 O  -6.3900001E-02  -3.205600      -1.320500    
 O   0.2038000      -1.505400       2.409900    
 C  -0.5334000      0.4412000      -1.327500    
 C   0.9394000      0.7032000     -0.9717000    
 C   -1.000800      -1.005700      -1.005200    
 C   -1.392100       1.535700     -0.6414000    
 C    1.883200     -0.3211000      -1.625700    
 C   -2.898400       1.471800     -0.9391000    
 C    1.321200       2.117300      -1.408900    
 C   -1.116600      -1.362200      0.4572000    
 C    3.370400     -0.1662000      -1.277600    
 C   -3.723200       1.473200      0.3303000    
 C  -0.1785000      -2.050400      -1.716600    
 C   -2.255800      -1.381600       1.175900    
 C   -3.634700      -1.046000      0.6758000    
 C   -4.032200      0.3600000       1.025100    
 C    3.629500     -0.2256000      0.2020000    
 C   9.2600003E-02  -1.725800       1.214300    
 C   -4.166700       2.827800      0.8114000    
 C    4.265900      0.6736000      0.9764000    
 C    4.417000      0.4295000       2.455100    
 C    4.873200       1.962500      0.5006000    
 H  -0.6449000      0.5742000      -2.414100    
 H    1.061700      0.6530000      0.1168000    
 H   -1.975900      -1.131400      -1.487000    
 H   -1.089700       2.527100     -0.9931000    
 H   -1.200000       1.529900      0.4395000    
 H    1.778400     -0.3095000      -2.716700    
 H    1.715500      -1.321400      -1.248800    
 H   -3.164000      0.6185000      -1.568800    
 H   -3.181800       2.342900      -1.545400    
 H    1.021600       2.317700      -2.443400    
 H   0.8827000       2.881300     -0.7600000    
 H    2.396500       2.297600      -1.344200    
 H    3.776500      0.7319000      -1.746300    
 H    3.916900     -0.9998000      -1.738900    
 H   0.1365000      -1.801000      -2.745300    
 H   -2.228800      -1.654900       2.230200    
 H   -3.751600      -1.231100     -0.3952000    
 H   -4.347200      -1.735100       1.147400    
 H   -4.612000      0.4620000       1.941000    
 H    3.255200      -1.128900      0.6827000    
 H   0.9159000      -2.185400      0.6531000    
 H   -4.727700       2.772800       1.750200    
 H   -4.813100       3.301900      6.5700002E-02
 H   -3.298600       3.473200      0.9810000    
 H    3.944200       1.238100       3.022100    
 H    5.477000      0.3874000       2.726200    
 H    3.955400     -0.5114000       2.773100    
 H    4.359200       2.812000      0.9624000    
 H    4.827100       2.097600     -0.5812000    
 H    5.930600       2.005800      0.7832000    


%chk=000155519-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155519

0 1
O 0.659710 -2.984136 -0.421534
O 0.725124 -0.519764 2.896857
C -0.460476 0.426406 -1.351856
C 1.011464 0.969176 -1.209216
C -0.728679 -0.932791 -0.567370
C -1.516178 1.487593 -0.914529
C 2.020870 0.153484 -2.071335
C -3.023506 1.099816 -1.114332
C 1.137312 2.468053 -1.591188
C -0.728235 -0.809958 0.951877
C 3.510280 0.287125 -1.625182
C -3.860940 1.416639 0.123050
C 0.065807 -2.117846 -1.107524
C -1.866939 -0.748939 1.714271
C -3.310844 -0.827178 1.252436
C -3.963344 0.556993 1.178350
C 3.810747 -0.490873 -0.357703
C 0.587453 -0.775043 1.665015
C -4.525618 2.780566 0.148858
C 4.088640 -0.009805 0.890052
C 4.314657 -0.959140 2.056895
C 4.160822 1.463025 1.253862
H -0.626100 0.200009 -2.430814
H 1.312874 0.873856 -0.146318
H -1.758451 -1.213761 -0.883385
H -1.326140 2.417424 -1.475729
H -1.344583 1.723560 0.152694
H 1.919577 0.480955 -3.127774
H 1.772912 -0.924658 -2.059487
H -3.120023 0.027678 -1.369451
H -3.428225 1.651622 -1.983760
H 0.719009 2.661380 -2.598309
H 0.631036 3.133285 -0.871193
H 2.200677 2.766852 -1.614062
H 3.778293 1.353900 -1.515741
H 4.145920 -0.107320 -2.444047
H 0.003112 -2.218751 -2.224022
H -1.708057 -0.620594 2.795951
H -3.386565 -1.334563 0.272645
H -3.874713 -1.445501 1.975468
H -4.530444 0.872733 2.064653
H 3.771129 -1.585836 -0.477523
H 1.480113 -1.009222 1.047160
H -5.067643 2.959241 1.093552
H -5.244879 2.887892 -0.687070
H -3.776616 3.588490 0.025929
H 3.517057 -0.836850 2.816953
H 5.278172 -0.749091 2.562223
H 4.318400 -2.014225 1.732186
H 3.438859 1.691130 2.063042
H 3.947597 2.134333 0.405575
H 5.165077 1.717833 1.646900


