%chk=000221726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221726

0 1
O 1.644779 1.362850 0.881181
O 2.593448 -2.089373 -0.071270
O -0.565716 -2.197748 0.709279
O -1.195784 0.407280 -0.798994
O -1.630474 -3.108021 -1.064627
C 3.987572 2.083402 0.654650
C 2.754919 1.989717 1.557011
C 3.667646 2.812573 -0.655887
C 1.602542 -0.075444 0.909878
C 2.522599 -0.656119 -0.168806
C 4.816998 2.730748 -1.654474
C 1.450555 -2.810978 -0.568193
C 0.514865 -3.165543 0.586408
C -2.595765 -1.217440 0.129466
C -2.362594 0.150519 -0.141771
C -1.603790 -2.263455 -0.201908
C -3.804275 -1.594385 0.732866
C -3.310460 1.125812 0.221281
C -4.751592 -0.632356 1.081646
C -4.496352 0.722902 0.830176
C -0.753824 1.807692 -0.945285
C 0.347849 1.716740 -1.979824
H 4.805666 2.598348 1.192595
H 4.367581 1.061535 0.433520
H 2.333094 2.987743 1.784415
H 2.975575 1.460040 2.498546
H 3.421271 3.871403 -0.447360
H 2.740126 2.369118 -1.097689
H 0.528180 -0.278512 0.688803
H 1.847690 -0.459963 1.911734
H 2.211535 -0.352976 -1.181903
H 3.583541 -0.365307 -0.008887
H 5.737355 3.166678 -1.248820
H 4.579613 3.271387 -2.577805
H 5.042063 1.694422 -1.931607
H 1.917478 -3.718857 -0.999431
H 0.928720 -2.253567 -1.365544
H 0.075663 -4.171894 0.471434
H 1.015259 -3.061710 1.568862
H -3.997429 -2.651143 0.930961
H -3.126591 2.177974 0.025615
H -5.685894 -0.932623 1.549893
H -5.237583 1.472472 1.112846
H -0.384225 2.119543 0.051341
H -1.606408 2.422962 -1.272992
H 0.253358 2.483024 -2.755355
H 0.328081 0.736466 -2.483013
H 1.347835 1.820461 -1.506961


%chk=000221726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221726

0 1
O 1.793170 1.702746 -0.027197
O 2.573405 -1.981545 -0.354142
O -0.547653 -2.092682 -0.138344
O -1.661713 0.238307 -0.854754
O -1.930059 -3.599108 0.953798
C 4.015158 2.343037 1.004261
C 2.486693 2.537963 0.969323
C 4.715876 2.724003 -0.318564
C 1.705840 0.264452 0.309914
C 2.662923 -0.534470 -0.597463
C 6.229505 2.422207 -0.301318
C 1.586624 -2.718663 -1.153346
C 0.406875 -3.221523 -0.328425
C -2.688761 -1.304348 0.724044
C -2.666689 -0.024833 0.074606
C -1.725373 -2.429266 0.529508
C -3.738711 -1.578552 1.644290
C -3.679674 0.926711 0.381029
C -4.735278 -0.634147 1.945150
C -4.697273 0.626291 1.307075
C -1.703350 1.533372 -1.582758
C -0.520655 1.545332 -2.545628
H 4.420039 2.963632 1.831502
H 4.249941 1.291256 1.267180
H 2.241769 3.573669 0.669152
H 2.051758 2.350213 1.975027
H 4.552299 3.803212 -0.515946
H 4.229961 2.181084 -1.152045
H 0.664212 -0.045665 0.125176
H 1.952918 0.091442 1.376801
H 2.445154 -0.297796 -1.660351
H 3.714198 -0.269256 -0.389105
H 6.737478 2.969261 0.515696
H 6.710440 2.714252 -1.252883
H 6.416655 1.342495 -0.146294
H 2.118903 -3.602435 -1.557261
H 1.220837 -2.105508 -2.001894
H -0.120806 -4.042829 -0.849344
H 0.739290 -3.589835 0.658023
H -3.740427 -2.568949 2.110829
H -3.676871 1.905754 -0.103644
H -5.526580 -0.874492 2.661587
H -5.462351 1.379848 1.525811
H -1.626140 2.364105 -0.853212
H -2.670959 1.609398 -2.119960
H -0.569286 2.451944 -3.177186
H -0.547768 0.661033 -3.205791
H 0.429156 1.565277 -1.986925


