%chk=000146349.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146349

0 1
 O    4.242300      0.8231000      0.4899000    
 O   -1.616400       1.239400       2.087000    
 O   -4.423200     -0.2866000      -1.459800    
 C   0.3997000      -3.082600     -0.8612000    
 C  -0.7927000      -3.154600      0.1134000    
 C    1.412600      -2.047100     -0.5069000    
 C    2.240600      0.2025000     -0.6722000    
 C   -1.580900      -1.869500      0.1841000    
 C    1.291300     -0.7515000      -1.009400    
 C    2.093100       1.598600      -1.223500    
 C    2.481500      -2.374400      0.3273000    
 C    3.307900     -0.1105000      0.1563000    
 C    3.429200      -1.406100      0.6590000    
 C   -1.225500     -0.9047000       1.113600    
 C   -2.646200      -1.677100     -0.6814000    
 C    1.282300       2.486700     -0.3223000    
 C   -1.954000      0.2830000       1.179100    
 C   -3.374600     -0.4893000     -0.6158000    
 C   -3.028600      0.4907000      0.3144000    
 C   0.1221000       3.110900     -0.6014000    
 C  -0.6413000       3.989000      0.3491000    
 C  -0.5118000       2.968400      -1.959700    
 C  -0.5073000      0.9618000       2.940400    
 H   3.2400001E-02  -2.900300      -1.880200    
 H   0.8817000      -4.068200     -0.9010000    
 H  -0.4397000      -3.422900       1.118100    
 H   -1.456500      -3.973600     -0.1928000    
 H   0.4641000     -0.4936000      -1.665800    
 H    3.083300       2.055900      -1.349200    
 H    1.702400       1.543200      -2.244200    
 H    2.585700      -3.379500      0.7273000    
 H    4.256400      -1.674700       1.310600    
 H  -0.3891000      -1.122200       1.768500    
 H   -2.917000      -2.437400      -1.409000    
 H    1.702300       2.639900      0.6716000    
 H   -3.591000       1.419400      0.3701000    
 H    4.904000      0.4151000       1.074500    
 H  -0.1521000       4.044200       1.327100    
 H  -0.7117000       5.006400     -4.8700001E-02
 H   -1.654200       3.604800      0.5031000    
 H  -0.2966000       2.015400      -2.448100    
 H   -1.603900       3.011500      -1.873600    
 H  -0.1947000       3.787300      -2.613000    
 H   -4.810500      0.5868000      -1.277100    
 H   0.4211000      0.8433000       2.371900    
 H  -0.7067000      0.1044000       3.592100    
 H  -0.3739000       1.833200       3.589800    


%chk=000146349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146349

0 1
O 4.303266 0.883984 0.484365
O -1.980690 1.320595 1.895913
O -4.737975 -0.758585 -1.500054
C 0.385535 -3.110407 -0.943451
C -0.773587 -3.235898 0.105430
C 1.438759 -2.076117 -0.575331
C 2.351476 0.227614 -0.773520
C -1.676663 -2.012414 0.164591
C 1.405233 -0.765699 -1.116138
C 2.283449 1.634877 -1.361126
C 2.471883 -2.390130 0.342727
C 3.367583 -0.123963 0.154160
C 3.432816 -1.422753 0.709406
C -1.368887 -0.941349 1.044367
C -2.807508 -1.928003 -0.677670
C 1.650906 2.634868 -0.400517
C -2.195172 0.206134 1.068088
C -3.623883 -0.773657 -0.638332
C -3.331301 0.300082 0.227312
C 0.412538 3.201558 -0.491075
C -0.075403 4.181988 0.564755
C -0.595444 2.915858 -1.590375
C -0.802279 1.290707 2.769383
H -0.059935 -2.868419 -1.926599
H 0.858277 -4.107746 -1.039168
H -0.326289 -3.427666 1.099328
H -1.374758 -4.127144 -0.158367
H 0.610258 -0.504200 -1.825805
H 3.311331 1.975705 -1.588567
H 1.727124 1.599271 -2.313847
H 2.533388 -3.399136 0.768983
H 4.233539 -1.682356 1.415282
H -0.481502 -1.013711 1.679056
H -3.074083 -2.742957 -1.357822
H 2.284658 2.899444 0.458485
H -3.957815 1.198344 0.278621
H 5.002514 0.524469 1.084518
H 0.679854 4.348114 1.353426
H -0.318871 5.164314 0.112563
H -1.004679 3.808515 1.039206
H -0.188025 2.295634 -2.405328
H -1.474161 2.385173 -1.172094
H -0.969880 3.860091 -2.032752
H -5.253690 0.078242 -1.388885
H 0.129578 1.229275 2.175867
H -0.854489 0.444365 3.481314
H -0.831096 2.241591 3.321678


