%chk=000214481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214481

0 1
S 2.920388 0.892163 1.111815
O 3.527116 2.076487 1.690012
O 3.102165 -0.387201 1.745009
O -2.922827 -0.611084 -0.701384
O -2.908465 4.232477 0.291082
O 2.342255 -0.688913 -1.363776
N -2.769490 1.961362 -0.148772
N 3.735899 0.835314 -0.442342
C 1.278666 1.184181 0.763007
C -0.934129 0.366787 0.124825
C -1.431357 1.707290 0.192024
C 0.428359 0.144459 0.390212
C 0.764225 2.492826 0.877774
C -0.561682 2.753094 0.597275
C -1.800687 -0.775879 -0.237687
C -1.288456 -2.163039 -0.015571
C -0.943887 -2.593438 1.273876
C -1.199370 -3.041932 -1.102953
C -3.451079 3.218466 -0.085584
C 3.354484 -0.021125 -1.489591
C -0.500484 -3.903275 1.470011
C -0.746946 -4.349441 -0.900892
C -0.397937 -4.779355 0.383064
C -4.879467 3.130015 -0.529122
C 4.228017 -0.028702 -2.706168
H 0.838710 -0.877577 0.288238
H 1.427982 3.310183 1.193999
H -0.948588 3.777929 0.684324
H -3.320826 1.131496 -0.497435
H 4.577861 1.415404 -0.560593
H -1.022248 -1.910977 2.120275
H -1.481244 -2.705143 -2.101170
H -0.227121 -4.239972 2.469494
H -0.667073 -5.031999 -1.745735
H -0.043733 -5.798085 0.538671
H -4.979195 2.793424 -1.572124
H -5.359123 4.121952 -0.464143
H -5.474558 2.445381 0.094106
H 5.242763 -0.389425 -2.483318
H 3.810335 -0.704076 -3.472236
H 4.319749 0.964050 -3.167195


%chk=000214481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214481

0 1
S 3.064310 0.891295 1.135304
O 3.647735 2.181309 1.934305
O 3.243922 -0.608233 1.710506
O -2.910936 -0.603630 -0.897498
O -3.050425 4.194810 0.329553
O 2.778379 -0.605705 -1.593639
N -2.764574 1.914481 -0.199472
N 3.970662 1.058167 -0.493382
C 1.262192 1.200429 0.721996
C -0.909864 0.336584 0.075867
C -1.427676 1.690641 0.161325
C 0.470722 0.120586 0.328366
C 0.772590 2.508490 0.888164
C -0.579511 2.751366 0.599767
C -1.782665 -0.812664 -0.312047
C -1.392196 -2.226393 -0.017036
C -0.675730 -2.605117 1.152304
C -1.850149 -3.236219 -0.908030
C -3.509576 3.101275 -0.112129
C 3.730663 0.223534 -1.581329
C -0.406437 -3.965958 1.409448
C -1.564552 -4.591662 -0.656981
C -0.839164 -4.960301 0.502386
C -4.952279 2.959470 -0.581702
C 4.709040 0.397569 -2.741379
H 0.920366 -0.863905 0.182006
H 1.432746 3.309918 1.235360
H -1.006322 3.751179 0.696001
H -3.212523 1.066275 -0.610331
H 4.766602 1.703442 -0.423796
H -0.360126 -1.849843 1.878838
H -2.425920 -2.935045 -1.788947
H 0.139986 -4.247473 2.315475
H -1.905528 -5.360611 -1.358294
H -0.618640 -6.015167 0.699684
H -5.132552 2.042961 -1.167739
H -5.220984 3.841425 -1.185312
H -5.619642 2.948463 0.299364
H 5.442420 -0.428499 -2.713511
H 4.149412 0.321802 -3.687278
H 5.255230 1.355056 -2.714883


