%chk=000185635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185635

0 1
O 1.958456 0.174567 -2.968661
O -0.032348 1.585358 -1.999066
O 2.736914 -2.008138 -1.698338
O 0.238637 -0.635833 2.059515
O -2.111945 1.612783 -0.626963
C 1.866040 0.187641 -1.545282
C 1.435645 -1.640767 0.283553
C 2.062033 -1.256827 -1.030583
C 0.464022 0.737692 -1.252094
C -0.231353 0.278564 -0.069285
C 2.958542 1.127623 -0.987625
C 0.444287 -0.630267 0.860285
C 0.733166 -3.016410 0.168665
C -2.409621 0.300844 1.321020
C -1.519765 0.748945 0.179061
C 2.982492 1.155270 0.504321
C -3.365619 1.415996 1.782142
C -0.473050 -2.973363 -0.715233
C -3.171792 -0.941957 0.853005
C 2.343133 2.051707 1.275954
C -0.557961 -3.503802 -1.945909
C -2.622443 2.558523 2.466793
C 2.372499 1.924319 2.767536
C 1.531195 3.190063 0.748457
C -1.825642 -3.408295 -2.739968
C 0.563510 -4.223497 -2.623569
H 2.274467 -1.749256 1.029487
H 3.943306 0.807482 -1.388884
H 2.795468 2.140361 -1.421905
H 1.476829 -3.760655 -0.189651
H 0.437068 -3.350855 1.186911
H -1.747331 0.017130 2.193479
H 3.584845 0.369647 0.958933
H 2.607053 -0.524744 -3.260686
H -3.940661 1.803853 0.915673
H -4.113896 0.984572 2.476538
H -1.333079 -2.457805 -0.270699
H -2.484035 -1.718632 0.467400
H -3.730120 -1.392566 1.682885
H -3.891538 -0.708536 0.059141
H -1.494030 1.915386 -1.470347
H -1.942780 3.070075 1.774878
H -3.323150 3.311396 2.847317
H -2.026655 2.207440 3.318128
H 2.169219 2.870387 3.282374
H 1.600263 1.202870 3.094620
H 3.334439 1.552837 3.142702
H 1.474935 3.210580 -0.350080
H 1.953894 4.154386 1.064513
H 0.498976 3.148181 1.123900
H -1.686899 -2.754666 -3.614237
H -2.136734 -4.392121 -3.116833
H -2.665732 -3.001156 -2.164668
H 0.645226 -5.256795 -2.259609
H 1.537642 -3.736918 -2.440027
H 0.440079 -4.271419 -3.712486


%chk=000185635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185635

0 1
O 1.490932 0.818662 -3.158602
O -0.091262 2.423090 -1.595835
O 1.925907 -1.700947 -2.398857
O -1.240966 -1.492258 0.956008
O -2.011662 2.560546 -0.210172
C 1.420394 0.552582 -1.727171
C 0.904762 -1.487163 -0.179530
C 1.442183 -0.967570 -1.492082
C 0.151234 1.197198 -1.179720
C -0.719068 0.553249 -0.230493
C 2.693008 1.242525 -1.058315
C -0.451071 -0.826278 0.220614
C 0.881437 -3.036802 -0.073343
C -2.874003 0.862431 1.273974
C -1.846168 1.333094 0.265546
C 2.897536 1.090705 0.432840
C -3.417889 2.026282 2.141374
C -0.157647 -3.709396 -0.951479
C -4.020912 0.153700 0.484412
C 2.545583 1.977733 1.412780
C 0.054701 -4.575200 -1.983969
C -2.352126 2.658201 3.063324
C 2.867741 1.688332 2.869233
C 1.835557 3.296531 1.168520
C -1.123162 -5.184986 -2.729706
C 1.415848 -5.011042 -2.493389
H 1.600455 -1.086210 0.597802
H 3.555065 0.815467 -1.604487
H 2.606189 2.300633 -1.361254
H 1.895756 -3.407479 -0.300472
H 0.663562 -3.281327 0.983695
H -2.405200 0.094453 1.912785
H 3.444551 0.188727 0.749870
H 1.831550 -0.027561 -3.571451
H -3.853264 2.802910 1.486426
H -4.243230 1.617953 2.756813
H -1.197189 -3.481641 -0.676462
H -3.641576 -0.714690 -0.079826
H -4.778899 -0.210004 1.200356
H -4.506800 0.858462 -0.214185
H -1.127928 2.742149 -0.998873
H -1.545819 3.132055 2.473406
H -2.798533 3.442152 3.701415
H -1.895986 1.899940 3.727889
H 3.513537 2.481617 3.294537
H 1.945163 1.672041 3.482937
H 3.383871 0.720996 2.996655
H 1.656729 3.509783 0.103440
H 2.424801 4.131199 1.596044
H 0.855423 3.311310 1.686732
H -1.092327 -4.915529 -3.804480
H -1.095131 -6.292093 -2.680899
H -2.090212 -4.847927 -2.317702
H 1.537794 -6.108140 -2.390997
H 2.251048 -4.514181 -1.977388
H 1.511814 -4.777085 -3.571787


