%chk=000138859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138859

0 1
 O    2.277800     -0.2362000      -1.673500    
 C   -3.408700      0.3724000     -0.8676000    
 C   -3.419600       1.900000     -0.9832000    
 C   -3.763200     -0.1415000      0.5304000    
 C   -2.425100       2.655100     -9.4099998E-02
 C   -3.946800      -1.666400      0.5986000    
 C  -0.9628000       2.253600     -0.3143000    
 C   -2.794100      -2.507100      3.6400001E-02
 C  -8.8999998E-03   3.232900      0.3824000    
 C   -1.458300      -2.242400      0.7299000    
 C    1.467900       2.832800      0.2615000    
 C  -0.2906000      -2.906500     -6.8999999E-03
 C    1.830700       1.666300       1.182600    
 C    1.039600      -2.385400      0.5375000    
 C    3.312600       1.272600       1.152900    
 C    2.230500      -2.746400     -0.3554000    
 C    3.844200      0.7980000     -0.1975000    
 C    3.388800      -1.761900     -0.1636000    
 C    3.085800     -0.3899000     -0.7560000    
 H   -4.135200     -2.6600000E-02  -1.586700    
 H   -2.428200     -4.9000001E-03  -1.176600    
 H   -4.429800       2.266100     -0.7611000    
 H   -3.222100       2.164700      -2.029700    
 H   -4.698100      0.3274000      0.8620000    
 H   -2.996700      0.1664000       1.249700    
 H   -2.687500       2.517800      0.9614000    
 H   -2.540200       3.726400     -0.3024000    
 H   -4.860300      -1.932500      5.2099999E-02
 H   -4.120400      -1.948700       1.644300    
 H  -0.7392000       2.237000      -1.387800    
 H  -0.8061000       1.239600      6.5899998E-02
 H   -2.704100      -2.322400      -1.040400    
 H   -3.047500      -3.569200      0.1427000    
 H  -0.2803000       3.335500       1.440000    
 H  -0.1342000       4.223400     -7.2700001E-02
 H   -1.497800      -2.598400       1.766200    
 H   -1.272800      -1.164500      0.7716000    
 H    2.085500       3.698100      0.5319000    
 H    1.694800       2.590900     -0.7823000    
 H  -0.3615000      -2.670800      -1.075700    
 H  -0.3439000      -3.996400      9.2200004E-02
 H    1.216800      0.7976000      0.9389000    
 H    1.576400       1.938700       2.214900    
 H    1.207100      -2.768400       1.551400    
 H   0.9690000      -1.299400      0.6270000    
 H    3.466500      0.4829000       1.898300    
 H    3.914700       2.128000       1.483000    
 H    1.932600      -2.761300      -1.410400    
 H    2.567100      -3.759900     -0.1075000    
 H    4.899000      0.5137000     -0.1076000    
 H    3.809000       1.608100     -0.9343000    
 H    4.284900      -2.140000     -0.6675000    
 H    3.615500      -1.659600      0.9022000    


%chk=000138859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138859

0 1
O 2.389357 -0.227939 -1.687440
C -3.521388 0.398588 -0.848527
C -3.518170 1.946130 -0.932497
C -3.834009 -0.164862 0.557937
C -2.461824 2.667218 -0.055097
C -4.025911 -1.705664 0.594166
C -0.993242 2.270921 -0.346891
C -2.845803 -2.529271 0.014019
C 0.018616 3.255744 0.291521
C -1.490552 -2.262956 0.706648
C 1.502113 2.814276 0.191788
C -0.285924 -2.925547 -0.002941
C 1.855344 1.664119 1.164174
C 1.063841 -2.383106 0.518451
C 3.354706 1.278607 1.209124
C 2.289640 -2.758607 -0.350089
C 3.966196 0.795940 -0.146856
C 3.465514 -1.779511 -0.134029
C 3.205796 -0.388954 -0.737623
H -4.276149 0.008066 -1.563128
H -2.542961 0.014211 -1.197850
H -4.526027 2.321586 -0.656775
H -3.353627 2.240656 -1.989993
H -4.760540 0.313697 0.938593
H -3.031096 0.126677 1.263491
H -2.677954 2.493107 1.018909
H -2.571101 3.760697 -0.213932
H -4.945884 -1.963615 0.029506
H -4.205741 -2.017873 1.644000
H -0.825345 2.241609 -1.443371
H -0.803275 1.242794 0.019807
H -2.741371 -2.308409 -1.067432
H -3.091416 -3.608967 0.083371
H -0.242878 3.407505 1.360880
H -0.104920 4.243605 -0.198223
H -1.539194 -2.589440 1.766401
H -1.306918 -1.169463 0.728141
H 2.157493 3.682206 0.414990
H 1.721192 2.503772 -0.848832
H -0.351724 -2.707493 -1.088806
H -0.333721 -4.028937 0.101318
H 1.252172 0.771512 0.909436
H 1.549401 1.961316 2.188959
H 1.227452 -2.705053 1.567882
H 0.982199 -1.278309 0.540965
H 3.501570 0.488833 1.973237
H 3.948553 2.152407 1.544514
H 2.001407 -2.716019 -1.417401
H 2.616529 -3.794608 -0.136703
H 5.020922 0.508615 0.035353
H 3.950600 1.618602 -0.882862
H 4.389014 -2.165032 -0.618638
H 3.711837 -1.674079 0.941457


