%chk=000179705.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179705

0 1
S -2.102423 -0.405435 -0.767505
O -3.125491 1.864217 0.119059
N -0.861711 1.929768 -0.289815
C 0.400560 1.218480 -0.600673
C 0.968597 0.477607 0.625029
C 2.268722 -0.187630 0.268197
C -0.731236 3.314180 0.231028
C -2.096910 1.319867 -0.220611
C 2.266418 -1.450106 -0.345437
C 3.488877 0.450254 0.537526
C -3.874121 -0.821259 -0.635100
C -4.039498 -1.921157 0.403688
C 3.473731 -2.066740 -0.682388
C 4.693808 -0.171972 0.198818
C 4.689446 -1.430012 -0.411295
C -5.501947 -2.352739 0.511125
H 0.242024 0.509050 -1.447376
H 1.143904 1.962606 -0.970621
H 0.237731 -0.274654 0.993160
H 1.101322 1.180619 1.471442
H -0.282487 3.964345 -0.537939
H -0.109316 3.345713 1.139466
H -1.728086 3.727656 0.483782
H 1.322463 -1.950117 -0.557707
H 3.500723 1.428665 1.012444
H -4.222240 -1.136138 -1.636311
H -4.454675 0.089314 -0.361089
H -3.411472 -2.799615 0.150080
H -3.682874 -1.570798 1.395180
H 3.467493 -3.046772 -1.157145
H 5.638635 0.325525 0.411757
H -5.881852 -2.746783 -0.438197
H -5.625201 -3.138961 1.265015
H -6.149413 -1.517066 0.803470
H 5.628298 -1.912712 -0.673656


%chk=000179705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179705

0 1
S -1.979838 -0.643208 -0.969634
O -3.232537 1.591507 0.069833
N -0.906353 1.761792 -0.133008
C 0.396150 1.159360 -0.479911
C 1.056233 0.392965 0.705699
C 2.388870 -0.210058 0.290472
C -0.892810 3.120884 0.444815
C -2.114955 1.104033 -0.251997
C 2.431158 -1.454497 -0.391866
C 3.608403 0.475552 0.524889
C -3.819632 -1.081465 -0.865251
C -4.220340 -1.653064 0.504109
C 3.659693 -1.999940 -0.826192
C 4.840060 -0.066219 0.091482
C 4.869392 -1.306521 -0.586924
C -5.722706 -2.017003 0.541883
H 0.273375 0.474362 -1.337513
H 1.068743 1.972403 -0.812495
H 0.354970 -0.397190 1.031010
H 1.193819 1.090826 1.553140
H -0.488543 3.845342 -0.286788
H -0.270670 3.151189 1.359117
H -1.924329 3.403751 0.702339
H 1.495637 -1.998404 -0.574970
H 3.593385 1.435127 1.057627
H -3.981553 -1.802488 -1.685518
H -4.363575 -0.145661 -1.077715
H -3.608931 -2.547506 0.730595
H -3.997356 -0.898610 1.280637
H 3.675228 -2.964131 -1.346984
H 5.773629 0.474163 0.285650
H -5.971322 -2.782663 -0.217271
H -6.003326 -2.419498 1.532089
H -6.351354 -1.128270 0.347611
H 5.823180 -1.729662 -0.921560


