%chk=000217439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217439

0 1
S 6.528461 -0.814621 0.114732
S 6.433431 1.236262 0.226229
O -6.971709 1.538967 -0.896487
O 5.195209 1.442406 -0.889167
O 5.933465 1.647728 1.490893
O 7.593593 1.800642 -0.379002
N 2.583274 -1.593393 0.628388
C 0.134944 -1.353998 0.859179
C 1.360916 -1.003808 0.000352
C -1.132067 -0.700685 0.296396
C 3.828703 -1.337554 -0.159180
C -2.362735 -1.032927 1.155561
C 4.968080 -1.355961 0.875056
C -3.598940 -0.389334 0.590555
C 4.055044 -2.363020 -1.276503
C -3.933047 0.931877 0.949212
C -4.420479 -1.088499 -0.300674
C -5.068059 1.542643 0.431991
C -5.570696 -0.497114 -0.836600
C -5.880852 0.813904 -0.462247
C -7.886732 0.896032 -1.814572
H 0.004542 -2.451240 0.916368
H 0.308894 -1.018207 1.902449
H 1.495567 0.101451 -0.032826
H 1.205721 -1.340358 -1.047319
H -1.306309 -1.032609 -0.745592
H -1.003778 0.398685 0.243321
H 3.763013 -0.307910 -0.614473
H 2.452760 -2.598543 0.779507
H -2.493107 -2.131691 1.223126
H -2.197129 -0.697293 2.199839
H 4.706450 -0.723900 1.754550
H 5.146961 -2.373260 1.277083
H 4.203314 -3.377526 -0.893176
H 4.938767 -2.113192 -1.878299
H 3.204281 -2.392685 -1.966844
H -3.293415 1.481365 1.640057
H -4.167713 -2.108976 -0.586831
H -5.343633 2.560379 0.697638
H -6.195235 -1.056138 -1.523795
H 5.255622 2.203084 -1.489007
H -8.632450 1.685125 -1.977545
H -8.341676 0.018500 -1.346595
H -7.374852 0.642691 -2.747148


%chk=000217439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217439

0 1
S 5.241458 -0.175889 1.803841
S 3.655453 1.575367 0.817605
O -6.497710 2.047664 -0.837781
O 3.946912 1.516023 -1.065622
O 2.150309 0.987847 0.983322
O 3.990398 3.087135 1.294664
N 2.795397 -2.505129 -0.636028
C 0.516126 -1.693894 0.198811
C 1.537610 -1.827519 -0.966927
C -0.787301 -1.009160 -0.262672
C 4.021982 -1.800943 -0.281747
C -1.786361 -0.794274 0.910604
C 4.092370 -1.554301 1.280338
C -3.054536 -0.078006 0.475090
C 5.272306 -2.564514 -0.761765
C -3.048673 1.326346 0.242496
C -4.264577 -0.778202 0.254509
C -4.202109 2.001591 -0.191614
C -5.438032 -0.119759 -0.182922
C -5.403363 1.278316 -0.407470
C -7.764730 1.351162 -1.066912
H 0.290429 -2.697214 0.617147
H 0.977498 -1.085653 0.998848
H 1.786196 -0.816821 -1.338907
H 1.051006 -2.379074 -1.799113
H -1.280888 -1.606085 -1.056745
H -0.543825 -0.024340 -0.707946
H 3.984723 -0.816741 -0.784751
H 2.756292 -3.508899 -0.440369
H -2.038335 -1.778222 1.352785
H -1.268871 -0.210180 1.697144
H 3.094029 -1.346778 1.703341
H 4.504608 -2.461295 1.763430
H 5.298349 -3.588241 -0.338641
H 6.188476 -2.037554 -0.443170
H 5.276434 -2.643820 -1.861917
H -2.126819 1.895856 0.413314
H -4.297343 -1.860617 0.431444
H -4.203068 3.082187 -0.364680
H -6.355507 -0.696052 -0.336878
H 4.332097 2.403798 -1.325223
H -8.468001 2.132429 -1.390677
H -8.137291 0.875528 -0.138491
H -7.666722 0.585230 -1.861163


