%chk=000268252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268252

0 1
S -2.165166 0.073914 1.632914
O -2.670075 -1.254883 1.896975
O -2.643756 1.150385 2.465334
N -0.429937 0.071462 1.649345
C 0.165785 0.025701 0.272808
C -1.001089 0.392076 -0.669160
C -2.263517 0.451650 -0.053189
C 0.701827 -1.374983 -0.036040
C 1.234392 1.114596 0.127879
C 0.245932 -0.680612 2.725354
C -0.878305 0.653970 -2.030915
C -3.400653 0.782836 -0.773409
C 2.017764 -1.720597 0.310468
C 2.158815 1.047910 -0.928640
C -0.129576 -2.345857 -0.612621
C 1.276399 2.206018 1.005469
C -2.028659 0.984616 -2.764503
C -3.279551 1.050536 -2.146198
C 2.499899 -3.007845 0.062288
C 3.114618 2.051851 -1.094599
C 0.355133 -3.633966 -0.860018
C 2.236799 3.209267 0.837228
C 1.670598 -3.967567 -0.526757
C 3.157455 3.135521 -0.210607
H 0.117597 -1.775240 2.645814
H -0.155305 -0.347806 3.700167
H 1.327090 -0.457788 2.726647
H 0.092135 0.610681 -2.523970
H -4.377918 0.837490 -0.288780
H 2.673143 -0.982760 0.776346
H 2.140253 0.207219 -1.622582
H -1.165632 -2.114337 -0.864602
H 0.558226 2.280823 1.827149
H -1.939911 1.194177 -3.831934
H -4.163044 1.312072 -2.726750
H 3.523444 -3.264076 0.331519
H 3.828239 1.990373 -1.914309
H -0.300535 -4.380022 -1.307530
H 2.261130 4.051902 1.526992
H 2.046337 -4.970875 -0.719570
H 3.903220 3.917266 -0.340512


%chk=000268252-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268252

0 1
S -2.205219 -0.180264 1.659516
O -2.624481 -1.754827 1.776536
O -2.896832 0.846574 2.707840
N -0.358273 0.133096 1.647928
C 0.200624 0.036475 0.245302
C -0.985277 0.429703 -0.671347
C -2.269292 0.400446 -0.112835
C 0.702821 -1.398135 -0.075515
C 1.302238 1.123142 0.105165
C 0.333993 -0.541110 2.763455
C -0.877264 0.809193 -2.027756
C -3.450475 0.727399 -0.792385
C 2.007191 -1.806335 0.311091
C 2.286252 1.033462 -0.913295
C -0.165049 -2.365413 -0.642902
C 1.276010 2.273753 0.931070
C -2.042010 1.139740 -2.756075
C -3.322099 1.106172 -2.148303
C 2.439933 -3.134752 0.112182
C 3.229605 2.068975 -1.093382
C 0.266968 -3.694070 -0.845177
C 2.223140 3.306191 0.754111
C 1.572551 -4.085333 -0.472838
C 3.204635 3.209532 -0.258695
H 0.428587 -1.637331 2.642743
H -0.217638 -0.322107 3.694180
H 1.342523 -0.099525 2.853986
H 0.105237 0.861163 -2.505941
H -4.424215 0.694724 -0.294449
H 2.692131 -1.081908 0.765243
H 2.328721 0.149444 -1.559123
H -1.185710 -2.092527 -0.927394
H 0.505876 2.343690 1.705444
H -1.951251 1.436256 -3.806329
H -4.212304 1.376472 -2.725367
H 3.451340 -3.426321 0.416443
H 3.984351 1.982164 -1.883107
H -0.420705 -4.424320 -1.285418
H 2.191043 4.187258 1.404781
H 1.906967 -5.116730 -0.629934
H 3.938960 4.011081 -0.395951


