%chk=000121536.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121536

0 1
 O    2.225300     -0.5112000       1.548900    
 C   0.1951000     -0.9771000      0.2927000    
 C  -0.4004000      0.3941000      0.7491000    
 C   4.3499999E-02   1.741300      5.4699998E-02
 C    1.739300      -1.116600      0.3420000    
 C    1.563200       1.835400     -0.2475000    
 C  -0.4577000      -1.476300      -1.004400    
 C    2.502300     -0.5033000     -0.8386000    
 C    2.097700      0.8877000      -1.312000    
 C   -1.917500      0.2744000      0.7845000    
 C   -1.976700      -1.621000     -0.8489000    
 C  -0.7603000       2.064400      -1.231200    
 C  -0.2561000       2.910100       1.043100    
 C   -2.625500     -0.6177000      6.9700003E-02
 C    2.150600      -2.601500      0.4434000    
 C   -4.122800     -0.6827000      0.1544000    
 H  -0.1530000      -1.676500       1.073500    
 H  -0.1012000      0.4838000       1.804500    
 H    2.150100       1.754000      0.6741000    
 H    1.766900       2.853000     -0.6128000    
 H  -5.4099999E-02  -2.450900      -1.299700    
 H  -0.2380000     -0.8032000      -1.835900    
 H    2.449000      -1.170900      -1.708800    
 H    3.566300     -0.4535000     -0.5659000    
 H    1.395400      0.7997000      -2.145600    
 H    2.991200       1.346500      -1.757400    
 H   -2.444700      0.9652000       1.437900    
 H   -2.189400      -2.623300     -0.4544000    
 H   -2.437400      -1.568800      -1.842700    
 H  -0.3661000       2.962700      -1.721600    
 H  -0.7322000       1.257900      -1.964700    
 H   -1.814600       2.268600      -1.012900    
 H   4.6700001E-02   3.875200      0.6194000    
 H   -1.322100       2.986400       1.280100    
 H   0.2886000       2.779700       1.985200    
 H    1.891000      -3.169300     -0.4546000    
 H    3.232000      -2.692600      0.6020000    
 H    1.676900      -3.083700       1.306400    
 H    1.779700     -0.9380000       2.300600    
 H   -4.566300     -0.5028000     -0.8303000    
 H   -4.531500      6.2799998E-02  0.8448000    
 H   -4.440700      -1.670300      0.5042000    


%chk=000121536-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121536

0 1
O 2.258625 -0.496489 1.587287
C 0.193809 -0.964630 0.272166
C -0.387541 0.417660 0.734520
C 0.049223 1.785353 0.036012
C 1.744096 -1.143824 0.334075
C 1.581161 1.861555 -0.261894
C -0.461564 -1.441898 -1.050063
C 2.568409 -0.498873 -0.805364
C 2.121804 0.886006 -1.333160
C -1.907472 0.288621 0.765300
C -1.977012 -1.671472 -0.833517
C -0.760871 2.097545 -1.254099
C -0.254385 2.927710 1.054284
C -2.631713 -0.634245 0.071801
C 2.105095 -2.648026 0.429443
C -4.144496 -0.706767 0.166761
H -0.187923 -1.666444 1.052767
H -0.043755 0.539662 1.784307
H 2.140525 1.713393 0.680363
H 1.781153 2.900344 -0.598394
H -0.000644 -2.383111 -1.404840
H -0.303606 -0.693444 -1.845359
H 2.602583 -1.210829 -1.653460
H 3.601033 -0.428400 -0.412736
H 1.367553 0.760730 -2.132584
H 2.999099 1.346078 -1.829673
H -2.451630 1.006691 1.395474
H -2.142039 -2.677479 -0.388759
H -2.503570 -1.691784 -1.810370
H -0.397987 3.043973 -1.699763
H -0.677493 1.311571 -2.023602
H -1.835022 2.213139 -1.026466
H -0.014500 3.913193 0.611595
H -1.319330 2.946499 1.349235
H 0.355522 2.811497 1.970227
H 1.756331 -3.215936 -0.451597
H 3.200758 -2.763226 0.502658
H 1.649514 -3.107621 1.328615
H 1.810908 -0.932116 2.358617
H -4.616349 -0.542595 -0.822924
H -4.548316 0.046117 0.866156
H -4.477486 -1.706426 0.512260


