%chk=000158835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158835

0 1
 O   0.2305000       2.409100       1.832800    
 O    4.494500      -1.878300     -0.3403000    
 O   -4.798000      -1.386500     -0.3024000    
 C   1.6000001E-02   1.550200     -0.4808000    
 C   9.0099998E-02   2.801700      0.4682000    
 C    1.230500      0.6209000     -0.4425000    
 C   -1.289200      0.7535000     -0.4324000    
 C    1.297300       3.689000      0.1172000    
 C   -1.187100       3.652900      0.3605000    
 C    2.033300      0.5393000      -1.557100    
 C   -1.783600      0.2270000      -1.603400    
 C    1.473300     -9.8499998E-02  0.7049000    
 C   -1.919000      0.5949000      0.7806000    
 C    3.140200     -0.3089000      -1.522100    
 C   -2.974100     -0.4985000      -1.559000    
 C    2.580300     -0.9466000      0.7399000    
 C   -3.109500     -0.1309000      0.8250000    
 C    3.413700      -1.051800     -0.3737000    
 C   -3.637000     -0.6776000     -0.3448000    
 C    5.112500      -2.088000      0.9286000    
 C   -5.084900      -2.090900      0.9048000    
 C    6.585300      -2.368600      0.7192000    
 C   -5.915000      -3.313600      0.5768000    
 H   8.1000002E-03   2.005800      -1.485300    
 H    2.244000       3.154700      0.2516000    
 H    1.346900       4.558200      0.7836000    
 H    1.245300       4.049100     -0.9155000    
 H   -2.065100       3.177500      0.8041000    
 H   -1.410600       3.912700     -0.6796000    
 H   -1.064700       4.589300      0.9190000    
 H    1.831400       1.112800      -2.456300    
 H   -1.274400      0.3594000      -2.553000    
 H   0.8294000     -5.3199999E-02   1.575800    
 H   -1.541400      0.9755000       1.719000    
 H    1.162500       2.192000       2.000900    
 H    3.786100     -0.3864000      -2.392300    
 H   -3.379900     -0.9227000      -2.473300    
 H    2.740000      -1.530600       1.641500    
 H   -3.604900     -0.2290000       1.786400    
 H    5.034800      -1.202500       1.571900    
 H    4.638800      -2.943400       1.422600    
 H   -4.170500      -2.438400       1.402000    
 H   -5.643400      -1.434100       1.580700    
 H    7.090000      -2.545200       1.673300    
 H    6.723300      -3.246400      7.9300001E-02
 H    7.070400      -1.527100      0.2133000    
 H   -6.163000      -3.873300       1.483100    
 H   -6.844400      -3.025200      7.4900001E-02
 H   -5.374800      -3.973900     -0.1097000    


%chk=000158835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158835

0 1
O 0.206152 2.557444 1.744674
O 4.998769 -1.264058 -0.177519
O -4.593731 -1.897547 -0.272105
C -0.009616 1.626479 -0.600590
C 0.009335 2.922765 0.314700
C 1.293581 0.819908 -0.461182
C -1.247052 0.734017 -0.439589
C 1.156444 3.871679 -0.107819
C -1.333114 3.673067 0.277306
C 2.345864 0.984226 -1.404016
C -1.813964 0.132618 -1.596114
C 1.505166 -0.092565 0.602719
C -1.835698 0.430493 0.813757
C 3.558538 0.281519 -1.288336
C -2.918385 -0.734351 -1.513485
C 2.720328 -0.802848 0.742059
C -2.949181 -0.434566 0.917064
C 3.755420 -0.613301 -0.206804
C -3.492815 -1.023477 -0.251124
C 5.247561 -2.219791 0.919679
C -5.227456 -2.231606 1.017172
C 6.653914 -2.775109 0.711687
C -6.374430 -3.191082 0.710317
H -0.032141 2.020432 -1.637281
H 2.137897 3.366432 -0.069460
H 1.182436 4.735310 0.579326
H 1.007165 4.250514 -1.136378
H -2.146860 3.058628 0.691683
H -1.596059 3.942133 -0.761756
H -1.256122 4.598659 0.873761
H 2.208621 1.670615 -2.248870
H -1.377121 0.343358 -2.580560
H 0.694726 -0.290776 1.311832
H -1.429462 0.900072 1.716410
H 1.089989 2.109416 1.821884
H 4.362795 0.404806 -2.020227
H -3.352138 -1.195065 -2.406451
H 2.837434 -1.501568 1.576078
H -3.378445 -0.634441 1.903633
H 5.161747 -1.694558 1.893586
H 4.486279 -3.026469 0.885613
H -4.478034 -2.701442 1.687670
H -5.597382 -1.302966 1.499640
H 6.897216 -3.501455 1.508416
H 6.729960 -3.285815 -0.263306
H 7.400717 -1.963383 0.737349
H -6.892571 -3.476241 1.644090
H -7.106310 -2.717787 0.033706
H -5.995969 -4.106924 0.225160


