%chk=000245019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245019

0 1
S -0.739305 0.778056 -0.650272
C 0.853134 0.273379 0.155986
C 0.702671 -1.126287 0.714478
C 1.794517 0.303448 -1.036621
C 1.163737 1.319202 1.206051
C -2.087468 0.424626 0.526320
C 1.297570 -1.484867 1.934256
C 2.713935 -0.735913 -1.249339
C 0.369416 1.408218 2.365027
C 0.001443 -2.103757 -0.013446
C 1.757081 1.377266 -1.944541
C 2.235417 2.212712 1.058629
C -3.247249 0.043587 -0.333471
C 1.156939 -2.781421 2.437780
C 3.562266 -0.715323 -2.359770
C 0.618822 2.387514 3.327297
C -0.137468 -3.397699 0.492855
C 2.601776 1.388512 -3.057731
C 2.484649 3.192773 2.025217
C 0.433526 -3.739462 1.723070
C 3.504470 0.342559 -3.271006
C 1.675117 3.289142 3.158596
C -3.538918 -1.310404 -0.567619
C -4.054042 1.037329 -0.911511
C -4.627221 -1.662718 -1.369175
C -5.139964 0.677273 -1.713503
C -5.430004 -0.671373 -1.942955
H -2.292095 1.329170 1.132224
H -1.804645 -0.381095 1.231661
H 1.882567 -0.756134 2.497754
H 2.775404 -1.570807 -0.549857
H -0.441197 0.700008 2.530986
H -0.430959 -1.862352 -0.988757
H 1.082029 2.222921 -1.790059
H 2.894683 2.154081 0.191505
H 1.617571 -3.043709 3.388921
H 4.268758 -1.529317 -2.513907
H -0.010482 2.447992 4.213745
H -0.687512 -4.144658 -0.077593
H 2.554762 2.218448 -3.761234
H 3.316839 3.882117 1.889540
H 0.321155 -4.747479 2.117112
H 4.159266 0.353498 -4.139792
H 1.865892 4.055354 3.906713
H -2.913508 -2.086281 -0.128520
H -3.830670 2.089374 -0.741748
H -4.849812 -2.713105 -1.548848
H -5.761018 1.450872 -2.162197
H -6.276275 -0.948670 -2.567454


%chk=000245019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245019

0 1
S -0.780358 0.355947 -0.984077
C 0.898796 0.073411 0.031639
C 0.874701 -1.324202 0.689513
C 1.992071 0.128921 -1.067017
C 1.011018 1.228975 1.048038
C -2.139077 0.148063 0.342957
C 1.575709 -1.572784 1.899723
C 3.134263 -0.710136 -0.992284
C 0.269404 1.192437 2.263846
C 0.267836 -2.426477 0.032705
C 1.912304 1.052796 -2.145386
C 1.821817 2.368788 0.805613
C -3.479130 0.109968 -0.355155
C 1.642277 -2.873249 2.449551
C 4.157537 -0.633861 -1.963932
C 0.323614 2.256615 3.187583
C 0.334085 -3.726571 0.578249
C 2.929247 1.122979 -3.121815
C 1.880447 3.434193 1.731448
C 1.018168 -3.957955 1.794284
C 4.061119 0.280793 -3.035799
C 1.128762 3.389038 2.926261
C -4.019538 -1.117836 -0.818763
C -4.215699 1.304321 -0.565978
C -5.271945 -1.152970 -1.470336
C -5.468099 1.272208 -1.219113
C -6.000455 0.042979 -1.672638
H -2.062168 1.001918 1.033995
H -1.929288 -0.793197 0.878572
H 2.077289 -0.747284 2.415015
H 3.225712 -1.434003 -0.177473
H -0.338956 0.314157 2.502108
H -0.256683 -2.249425 -0.913068
H 1.043961 1.715631 -2.225501
H 2.422841 2.423972 -0.105922
H 2.187498 -3.036262 3.386187
H 5.027327 -1.295668 -1.882943
H -0.259074 2.197456 4.113987
H -0.145407 -4.559467 0.051304
H 2.835721 1.837311 -3.947543
H 2.520092 4.298209 1.518056
H 1.067503 -4.966179 2.220607
H 4.851598 0.333916 -3.792752
H 1.175259 4.215476 3.644110
H -3.454379 -2.045168 -0.665115
H -3.802539 2.258585 -0.217620
H -5.679637 -2.108444 -1.819308
H -6.027497 2.201848 -1.373022
H -6.972448 0.016826 -2.177994


