%chk=000218156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218156

0 1
S -2.367404 -1.095751 -0.739014
S -3.843678 -0.873536 0.671122
O -4.941633 -0.053625 -0.285851
O -4.431665 -2.131142 0.981620
O -3.405411 0.054409 1.665248
N 0.446022 0.812817 -0.875904
N -1.013356 1.645493 0.904542
C 1.754414 1.148051 -0.276770
C 2.803155 0.691601 -1.319856
C 1.985343 0.554290 1.132393
C 4.254327 0.793719 -0.832411
C 1.832511 -0.964906 1.254289
C 4.901818 -0.569830 -0.543554
C 2.879512 -1.782329 0.482537
C 4.327847 -1.307192 0.676211
C -0.711681 1.000245 -0.326538
C -1.916658 0.614939 -1.153774
H 1.826829 2.268388 -0.178714
H 2.667388 1.292919 -2.239273
H 2.573846 -0.354385 -1.624603
H 1.299918 1.044441 1.854358
H 3.007422 0.842956 1.461111
H 4.857386 1.312928 -1.603725
H 4.320070 1.433710 0.068685
H 1.877564 -1.237047 2.327842
H 0.824267 -1.265699 0.904302
H 5.989007 -0.419766 -0.387642
H 4.817579 -1.215682 -1.439641
H 2.620574 -1.759655 -0.599686
H 2.794191 -2.843060 0.785948
H 4.970998 -2.182707 0.892802
H 4.402172 -0.660346 1.571570
H -2.760355 1.326677 -1.043827
H -1.660997 0.620199 -2.243320
H -0.269571 1.637011 1.599897
H -1.917947 1.446496 1.335010
H -5.880303 -0.293632 -0.210780


%chk=000218156-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218156

0 1
S -2.852082 -1.318204 -0.156364
S -4.619934 0.179558 0.767200
O -5.943793 0.037516 -0.537008
O -5.274980 -0.260229 2.179156
O -3.999749 1.683928 0.632027
N 0.429504 0.153089 -0.655975
N -1.124238 1.551554 0.589240
C 1.641540 0.721736 -0.021904
C 2.747255 0.816262 -1.110761
C 2.012290 -0.115644 1.240234
C 4.174272 1.141450 -0.586896
C 2.290482 -1.624158 1.051054
C 5.148643 -0.064692 -0.506985
C 3.542369 -2.020015 0.219086
C 4.834042 -1.199782 0.506281
C -0.772461 0.601294 -0.355034
C -1.932799 0.010657 -1.126692
H 1.473913 1.767401 0.344089
H 2.421187 1.598120 -1.823723
H 2.751104 -0.126388 -1.684783
H 1.176418 -0.015739 1.963663
H 2.887060 0.368620 1.716666
H 4.636876 1.886074 -1.264755
H 4.116065 1.640477 0.402751
H 2.403483 -2.055010 2.067482
H 1.397149 -2.101848 0.604950
H 6.159214 0.330492 -0.273606
H 5.221160 -0.516431 -1.518707
H 3.312286 -1.966374 -0.861540
H 3.740940 -3.090470 0.425901
H 5.702426 -1.888501 0.493539
H 4.798643 -0.784868 1.534763
H -2.668560 0.779544 -1.424889
H -1.552342 -0.498843 -2.028916
H -0.421740 1.975009 1.192512
H -2.116681 1.799817 0.719845
H -6.825460 0.135598 -0.067297


