%chk=000287139.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287139

0 1
S -0.946488 0.549071 2.457313
S -2.591487 -1.154044 3.898649
P 2.849137 -0.784060 -0.462917
O 0.443009 -0.423289 0.211471
O 3.298998 -1.242720 1.043375
O 2.793221 0.869675 -0.278076
O 3.769479 -1.266557 -1.521082
O -0.972395 0.498222 -1.323951
C -0.713034 1.502957 0.911738
C 1.089762 -1.257064 -0.705503
C -0.482103 0.506035 -0.223134
C 0.574382 2.273888 1.162839
C -1.886388 2.410667 0.609105
C 0.550246 -2.197996 -1.494769
C 2.473728 -0.747184 2.145287
C 3.225673 1.639857 -1.431753
C -3.395703 -0.426122 1.383659
C -2.428999 -0.373163 2.500124
C 3.370302 -0.951206 3.365220
C 1.970429 2.175497 -2.124123
C -3.500425 -1.845077 0.792319
C -0.922860 -2.405821 -1.580370
C 1.390397 -3.094888 -2.339922
C 2.634872 -0.589715 4.649317
C 2.333964 3.176595 -3.213113
C -4.446269 -1.878752 -0.402532
H 0.455705 3.055592 1.922283
H 1.414124 1.614622 1.477991
H 0.934897 2.759365 0.233481
H -2.137535 3.055492 1.462566
H -2.794861 1.847714 0.332661
H -1.668376 3.073493 -0.243206
H 2.210158 0.323248 1.989099
H 1.553319 -1.362809 2.183623
H 3.826553 2.447419 -0.969448
H 3.874819 1.052246 -2.112347
H -4.404910 -0.114332 1.749321
H -3.163606 0.297575 0.565712
H 4.293571 -0.347649 3.254327
H 3.715891 -2.005678 3.392065
H 1.308716 2.647790 -1.361365
H 1.372289 1.344519 -2.552304
H -2.487335 -2.198096 0.481880
H -3.846880 -2.553890 1.572528
H -1.202529 -3.349697 -2.061032
H -1.402891 -2.384655 -0.580845
H -1.389987 -1.583284 -2.156496
H 0.962214 -3.232050 -3.342414
H 2.427934 -2.731661 -2.498724
H 1.484180 -4.091626 -1.882677
H 2.330774 0.463398 4.664465
H 1.727246 -1.192529 4.783090
H 3.269953 -0.759516 5.526850
H 1.434665 3.554687 -3.715016
H 2.966443 2.721836 -3.986146
H 2.873413 4.042544 -2.812517
H -4.102050 -1.228833 -1.216473
H -5.458801 -1.557334 -0.130704
H -4.529651 -2.893905 -0.809795


%chk=000287139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287139

0 1
S -2.324304 -0.102986 2.554837
S -4.850862 -1.634963 2.597298
P 2.810771 -0.609007 -0.576066
O 0.512683 -0.698565 0.905156
O 3.978524 -0.765544 0.702698
O 2.261493 1.043293 -0.459477
O 3.475010 -1.012949 -1.965586
O -0.896230 0.079882 -0.796185
C -1.086720 1.032244 1.480377
C 1.266265 -1.490087 -0.024404
C -0.516165 0.131033 0.390175
C -0.039017 1.434894 2.539013
C -1.794984 2.257468 0.884004
C 0.889906 -2.751960 -0.368688
C 3.610450 -0.397565 2.098322
C 2.736551 2.000505 -1.505957
C -4.089964 -0.227401 0.244121
C -3.829750 -0.661543 1.669064
C 4.868529 -0.595745 2.946634
C 1.792888 2.012091 -2.715224
C -5.186387 -1.017806 -0.504930
C -0.405302 -3.343300 0.152904
C 1.714031 -3.637536 -1.280096
C 4.607285 -0.256618 4.431592
C 2.196287 3.110484 -3.724797
C -5.377439 -0.478789 -1.939436
H -0.493399 2.121374 3.274007
H 0.370791 0.560042 3.067540
H 0.798131 1.951407 2.034159
H -2.382706 2.771737 1.662930
H -2.453049 1.993642 0.043656
H -1.033003 2.962477 0.500484
H 3.268898 0.656031 2.119842
H 2.784083 -1.049333 2.447854
H 2.747968 2.974931 -0.986302
H 3.767229 1.737316 -1.812766
H -4.382393 0.845666 0.279588
H -3.147687 -0.258276 -0.337788
H 5.675526 0.041974 2.541278
H 5.205013 -1.644062 2.844995
H 0.756236 2.171991 -2.363711
H 1.823541 1.019736 -3.201574
H -4.906256 -2.087943 -0.533699
H -6.135559 -0.962906 0.058084
H -0.233983 -4.375487 0.510233
H -0.846042 -2.752979 0.971572
H -1.143289 -3.405313 -0.670420
H 1.076822 -4.012621 -2.103617
H 2.581005 -3.122900 -1.723624
H 2.068361 -4.524640 -0.720609
H 4.289883 0.795868 4.555899
H 3.817641 -0.901992 4.860188
H 5.522748 -0.403708 5.031431
H 1.517713 3.106461 -4.596114
H 3.224372 2.952256 -4.100961
H 2.152406 4.117643 -3.268184
H -4.439055 -0.542479 -2.521408
H -5.697100 0.580648 -1.930733
H -6.149493 -1.057288 -2.477973


