%chk=000293143.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293143

0 1
S -2.378556 0.048214 0.702448
O -4.863529 -0.351410 -1.356467
O -2.556374 0.027570 2.138913
O -3.033292 1.128266 -0.047329
O 4.191761 -1.696095 0.517007
N -2.986937 -1.442420 0.081520
N 3.348142 -0.038733 -0.845658
C -5.472749 -0.971056 -0.209702
C -4.356096 -1.779830 0.539504
C -6.088104 0.094475 0.694959
C -6.523524 -1.908060 -0.804142
C 6.603076 0.394156 -0.216481
C -0.721933 -0.000515 0.265976
C 5.737308 -0.626022 -0.995869
C 5.961927 1.784629 -0.203789
C 6.882698 -0.098110 1.204487
C 1.987913 -0.055186 -0.438062
C 4.395598 -0.867511 -0.342496
C -0.228695 0.890495 -0.697390
C 0.148966 -0.911427 0.879276
C 1.113758 0.873171 -1.056633
C 1.496392 -0.948398 0.533934
H -4.499876 -2.872181 0.376575
H -4.431776 -1.637020 1.641797
H -2.947134 -1.540739 -0.951383
H -5.334144 0.811842 1.053633
H -6.572769 -0.338855 1.575052
H -6.844561 0.679593 0.157478
H -7.289015 -1.335936 -1.344663
H -6.071239 -2.584119 -1.540948
H -7.023890 -2.505553 -0.038045
H 7.579918 0.465490 -0.763135
H 5.642599 -0.311752 -2.052093
H 6.274050 -1.602000 -1.027603
H -4.496059 0.555164 -1.133545
H 6.636791 2.520016 0.253608
H 5.036728 1.807448 0.384380
H 5.734954 2.143078 -1.211882
H 7.414714 -1.056680 1.204519
H 7.494033 0.617605 1.764796
H 5.958497 -0.255328 1.777528
H -0.908994 1.611562 -1.171164
H -0.227663 -1.603990 1.641393
H 3.597519 0.673155 -1.539205
H 1.480013 1.570568 -1.805387
H 2.169954 -1.665570 1.018685


%chk=000293143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293143

0 1
S -2.463719 0.068199 0.587273
O -5.152100 -0.244866 -1.396814
O -2.677565 -0.057198 2.193728
O -3.086222 1.369616 -0.221164
O 4.346566 -1.686357 0.646929
N -3.125828 -1.548157 -0.146164
N 3.433459 -0.121270 -0.845633
C -5.652986 -0.968429 -0.203240
C -4.479462 -1.855878 0.394967
C -6.178231 0.033204 0.847381
C -6.777442 -1.875974 -0.728151
C 6.729310 0.443903 -0.172043
C -0.647859 -0.023193 0.154805
C 5.853184 -0.593443 -0.954020
C 6.075528 1.845490 -0.127918
C 7.090072 -0.054086 1.246284
C 2.066522 -0.119060 -0.470560
C 4.496180 -0.867078 -0.305947
C -0.176487 0.802112 -0.879684
C 0.181441 -0.883255 0.893070
C 1.194388 0.748434 -1.188480
C 1.554017 -0.934692 0.579713
H -4.635951 -2.921870 0.138938
H -4.434017 -1.780008 1.496254
H -3.237365 -1.310023 -1.161011
H -5.373636 0.693031 1.220166
H -6.606629 -0.500760 1.715484
H -6.967925 0.664080 0.402158
H -7.611868 -1.264494 -1.111688
H -6.404790 -2.505992 -1.555503
H -7.160109 -2.534059 0.073773
H 7.670602 0.526936 -0.754492
H 5.728801 -0.243832 -1.998356
H 6.391906 -1.557193 -0.981872
H -4.640929 0.567126 -1.095820
H 6.765131 2.577717 0.329589
H 5.149797 1.840468 0.477491
H 5.825641 2.213883 -1.142416
H 7.601802 -1.032837 1.210242
H 7.761491 0.667633 1.746977
H 6.187747 -0.178102 1.870642
H -0.860314 1.475924 -1.405105
H -0.228400 -1.494577 1.702691
H 3.683299 0.517536 -1.604260
H 1.590299 1.384235 -1.989640
H 2.233051 -1.590842 1.125822


