%chk=000104888.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104888

0 1
 O   0.4418000      0.5998000      -1.593800    
 O   0.6523000       1.703600       1.086000    
 O   -1.501300      0.9448000      0.6162000    
 O   0.2690000       2.001200      -1.223600    
 O   -3.722800      0.3750000      0.2384000    
 C   0.4054000     -0.2375000     -0.4080000    
 C    1.879500     -0.7232000     -0.2344000    
 C  -0.5419000      -1.415600     -0.7663000    
 C    1.999900      -1.937600      0.7244000    
 C  -0.1418000      0.5404000      0.8167000    
 C  -0.3839000      -2.597800      0.2036000    
 C   -2.005800     -0.9085000     -0.8623000    
 C    2.859900      0.3994000      0.1794000    
 C    1.060900      -3.065900      0.2889000    
 C    1.144200       2.280500     -0.1271000    
 C    2.577800       1.788800     -0.4007000    
 C   -2.401900     -0.1370000      0.4056000    
 C    3.429500      -2.486300      0.8090000    
 C   -3.006800      -2.020900      -1.188800    
 C    1.130200       3.796700      5.3500000E-02
 C   -4.144400       1.100200       1.383300    
 H    2.217200      -1.055300      -1.228700    
 H  -0.2699000      -1.778200      -1.768900    
 H    1.710000      -1.622100       1.735300    
 H  -0.1085000     -7.0200004E-02   1.725200    
 H  -0.9922000      -3.445700     -0.1304000    
 H  -0.7351000      -2.335700       1.207500    
 H   -2.049000     -0.2029000      -1.704600    
 H    3.878200      0.1142000     -0.1136000    
 H    2.878600      0.4820000       1.274500    
 H    1.122300      -3.898800       1.000100    
 H    1.374400      -3.460700     -0.6862000    
 H    3.300400       2.470000      6.7000002E-02
 H    2.790500       1.799200      -1.476700    
 H   -2.396400     -0.7962000       1.282600    
 H    3.463300      -3.388400       1.429800    
 H    3.814500      -2.744900     -0.1832000    
 H    4.111400      -1.761000       1.263000    
 H   -3.980500      -1.599900      -1.461300    
 H   -2.660200      -2.619700      -2.037600    
 H   -3.165600      -2.688000     -0.3355000    
 H    1.494600       4.307800     -0.8440000    
 H   0.1083000       4.150100      0.2354000    
 H    1.733800       4.104200      0.9141000    
 H   -3.562200       2.018600       1.504500    
 H   -4.074200      0.4840000       2.285100    
 H   -5.191700       1.381200       1.240400    


%chk=000104888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104888

0 1
O 0.418449 0.589353 -1.636174
O 0.639056 1.780859 1.064741
O -1.511783 0.963311 0.682437
O 0.308393 2.087728 -1.300426
O -3.743023 0.367130 0.261621
C 0.414985 -0.257549 -0.381324
C 1.893749 -0.740531 -0.201085
C -0.561704 -1.420973 -0.736353
C 2.024967 -1.978781 0.741792
C -0.108224 0.566411 0.833453
C -0.398313 -2.619657 0.236459
C -2.024532 -0.897307 -0.867552
C 2.854833 0.399251 0.234991
C 1.061663 -3.104196 0.298680
C 1.217110 2.367722 -0.185597
C 2.629224 1.772840 -0.434400
C -2.431496 -0.175997 0.425141
C 3.477588 -2.506512 0.800607
C -3.031903 -1.998769 -1.254013
C 1.163110 3.882273 -0.018893
C -4.250005 1.058074 1.457568
H 2.192997 -1.074080 -1.218894
H -0.252710 -1.775411 -1.742943
H 1.734217 -1.664421 1.769149
H 0.003812 -0.035363 1.760943
H -1.051841 -3.443634 -0.102965
H -0.736871 -2.350393 1.257168
H -2.021183 -0.117748 -1.652351
H 3.890949 0.083373 0.014077
H 2.785173 0.532248 1.331490
H 1.147577 -3.959343 0.997379
H 1.373187 -3.475359 -0.700529
H 3.378930 2.481289 -0.034380
H 2.779420 1.711836 -1.527677
H -2.401110 -0.850234 1.319800
H 3.524369 -3.439199 1.393237
H 3.852316 -2.735024 -0.216179
H 4.170038 -1.782948 1.264157
H -4.009644 -1.546749 -1.486547
H -2.681051 -2.553012 -2.144860
H -3.188808 -2.728954 -0.438029
H 1.718669 4.383480 -0.829103
H 0.115240 4.222652 -0.023959
H 1.615255 4.148287 0.951414
H -3.645468 1.955739 1.672754
H -4.236687 0.382547 2.338980
H -5.287119 1.339440 1.219991


