%chk=000229196.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229196

0 1
S -0.513826 2.782078 0.169463
O -0.667610 3.328369 -1.150555
O -0.257252 3.668623 1.284465
O 3.338010 -2.568489 -0.642118
O 4.333730 -1.688386 1.066291
N -2.267457 0.933434 -0.197770
N -1.955817 1.951225 0.671191
N 3.475945 -1.697807 0.201012
C -3.032351 -2.264769 -0.482974
C -1.512305 -2.329953 -0.282697
C -3.481453 -0.922672 -1.081462
C -1.067940 -3.700381 0.245940
C -3.345211 0.208105 -0.086835
C 0.428358 -3.731440 0.548010
C -4.443898 0.388931 0.913742
C 0.677503 1.510538 0.150660
C 0.694494 0.595188 -0.903847
C 1.586045 1.406719 1.207534
C 2.511289 -0.561650 0.174008
C 1.616702 -0.457663 -0.897052
C 2.518004 0.364907 1.224929
H -3.547440 -2.440928 0.481281
H -3.358099 -3.083850 -1.154413
H -0.995149 -2.110179 -1.236111
H -1.192814 -1.532525 0.417536
H -4.535525 -0.990684 -1.418840
H -2.893005 -0.706374 -1.999975
H -1.636386 -3.955364 1.161884
H -1.316161 -4.487939 -0.492419
H 0.740493 -4.723103 0.897158
H 1.033110 -3.501932 -0.339340
H 0.697868 -3.011853 1.328161
H -4.054958 0.415539 1.942719
H -4.998352 1.322164 0.739776
H -5.178473 -0.427553 0.880728
H -2.687023 2.411362 1.229651
H -0.018602 0.687201 -1.733982
H 1.571107 2.139595 2.025925
H 1.636840 -1.194246 -1.707580
H 3.240208 0.266262 2.042508


%chk=000229196-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229196

0 1
S -0.499560 2.923984 0.105356
O -0.821802 3.360071 -1.427336
O -0.375927 4.005958 1.313406
O 4.827038 -1.161812 -1.060243
O 5.286627 -0.535212 1.084250
N -2.113715 0.723873 -0.186763
N -1.764266 1.629199 0.806511
N 4.558253 -0.511703 0.020444
C -3.489461 -2.459410 -0.618121
C -2.085825 -2.919209 -0.165518
C -3.524422 -0.995050 -1.145479
C -2.068414 -4.375849 0.351787
C -3.238338 0.040088 -0.078827
C -0.663345 -4.838835 0.793671
C -4.212606 0.225923 1.070713
C 1.047090 1.847286 0.083188
C 1.346548 1.149275 -1.097850
C 1.839957 1.820407 1.241857
C 3.322049 0.320884 0.042115
C 2.517487 0.363503 -1.117448
C 3.011843 1.037028 1.219414
H -4.205980 -2.574427 0.221388
H -3.851516 -3.125730 -1.426543
H -1.378550 -2.822072 -1.015101
H -1.705839 -2.242994 0.626890
H -4.528672 -0.792907 -1.571768
H -2.784673 -0.874245 -1.956796
H -2.773987 -4.469087 1.203020
H -2.449198 -5.050685 -0.442043
H -0.677986 -5.880301 1.163810
H 0.053782 -4.789580 -0.047207
H -0.271500 -4.197166 1.605305
H -3.744371 -0.040364 2.038434
H -4.546578 1.281802 1.154196
H -5.110340 -0.396713 0.936265
H -2.519414 2.211646 1.239206
H 0.692688 1.231926 -1.970525
H 1.555297 2.407334 2.120587
H 2.812376 -0.208009 -2.000871
H 3.677849 0.971675 2.083229


