%chk=000214236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214236

0 1
S -0.816785 -1.739631 0.011539
O -0.700923 -2.259323 -1.382388
N 2.915084 -0.120297 0.252532
C 3.053307 0.924477 -0.816515
C 4.216910 -0.838114 0.466975
C 4.118944 1.954789 -0.407582
C 5.301288 0.164803 0.895811
C 5.469521 1.276233 -0.147454
C 1.829249 -1.101227 -0.094524
C 0.476050 -0.461559 0.208238
C -2.234262 -0.657415 0.048207
C -2.982730 -0.466285 -1.113305
C -2.623253 -0.078130 1.254217
C -4.537889 0.915689 0.137169
C -4.134942 0.320923 -1.071289
C -3.775907 0.711534 1.299802
C -5.773112 1.754561 0.175117
H 2.069627 1.430630 -0.926394
H 3.305911 0.491054 -1.808452
H 4.553117 -1.395759 -0.433517
H 4.064063 -1.584163 1.276606
H 3.785913 2.483021 0.508203
H 4.215767 2.722605 -1.195867
H 6.256760 -0.366394 1.054676
H 5.021925 0.610682 1.871568
H 5.873847 0.858252 -1.088578
H 6.209177 2.019381 0.202477
H 1.864623 -1.437915 -1.156987
H 1.967462 -2.013575 0.528683
H 0.449266 -0.071991 1.242365
H 0.297567 0.410458 -0.445492
H -2.664384 -0.936300 -2.051447
H -2.043530 -0.231192 2.164334
H -4.721544 0.472269 -1.975019
H -4.082170 1.166514 2.238913
H -5.950437 2.211529 1.157209
H -5.724126 2.573922 -0.556796
H -6.664784 1.157544 -0.067834


%chk=000214236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214236

0 1
S -0.842884 -1.872334 -0.242325
O -0.711519 -1.997321 -1.913840
N 2.961866 -0.151604 0.154653
C 3.207598 0.662447 -1.065133
C 4.226563 -0.696408 0.713315
C 4.149995 1.843709 -0.759492
C 5.199726 0.444570 1.074727
C 5.479980 1.336335 -0.156530
C 1.909999 -1.180193 -0.044573
C 0.528740 -0.557643 0.199226
C -2.326723 -0.701933 0.011299
C -2.942669 -0.228846 -1.158594
C -2.805228 -0.384662 1.294169
C -4.579777 0.971690 0.243750
C -4.068744 0.612613 -1.033040
C -3.934515 0.462276 1.400612
C -5.799473 1.869690 0.360650
H 2.239701 1.036652 -1.445875
H 3.658164 0.032395 -1.876817
H 4.729068 -1.388148 -0.013783
H 3.982683 -1.286721 1.616562
H 3.651201 2.522531 -0.041132
H 4.335403 2.414720 -1.689576
H 6.140370 0.014044 1.469132
H 4.744968 1.055814 1.878182
H 6.026770 0.745075 -0.920400
H 6.131000 2.186937 0.120549
H 1.939371 -1.628694 -1.065573
H 2.077876 -1.998842 0.680745
H 0.372067 -0.274411 1.252481
H 0.309988 0.288099 -0.471744
H -2.528091 -0.536372 -2.128024
H -2.325600 -0.780888 2.197227
H -4.562084 0.992767 -1.936102
H -4.319103 0.724559 2.393312
H -6.028025 2.110910 1.412768
H -5.649822 2.822341 -0.180462
H -6.694237 1.386443 -0.075145


