%chk=000289091.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289091

0 1
S 2.940828 -2.258654 0.527009
O -0.075678 -2.515053 -0.384968
O -0.196428 0.770668 2.873374
O -4.884383 1.484771 -1.487883
N -0.438455 -0.725635 1.085185
N 1.833619 -0.913445 -1.980984
C 1.425271 -2.157853 1.518909
C 1.411350 -1.049177 2.565115
C 0.247944 -1.886188 0.590977
C 0.199877 -0.184157 2.257837
C -1.600759 -0.139961 0.456235
C 3.283101 -0.652353 -0.027799
C -2.538605 0.556290 1.234265
C -1.782311 -0.272635 -0.937670
C 2.761601 -0.184626 -1.257205
C -3.662618 1.126262 0.630733
C -2.898781 0.284230 -1.544263
C -3.833244 0.984177 -0.750844
C 4.186093 0.136103 0.702917
C 3.167604 1.099028 -1.731328
C 4.569229 1.385308 0.235332
C 4.050076 1.860359 -0.986784
C -5.910800 2.223787 -0.783301
H 1.318025 -3.171868 1.981474
H 2.328285 -0.420016 2.554002
H 1.353078 -1.442538 3.600067
H -2.390170 0.673745 2.311425
H -1.053105 -0.823942 -1.537459
H -4.378703 1.668370 1.240234
H -3.069541 0.192090 -2.615065
H 4.596851 -0.242912 1.641975
H 2.773337 1.475765 -2.670881
H 5.266277 1.998104 0.799373
H 4.355397 2.844702 -1.347208
H 1.589803 -0.628570 -2.913734
H 1.621338 -1.878225 -1.746278
H -6.407930 1.580877 -0.051412
H -6.594187 2.490884 -1.600092
H -5.485386 3.118686 -0.320181


%chk=000289091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289091

0 1
S 2.968589 -2.408629 0.620275
O -0.172304 -2.383760 -0.419429
O -0.347477 0.936597 2.914965
O -5.120607 1.569589 -1.459089
N -0.532359 -0.570960 1.079417
N 2.109687 -1.025196 -2.045162
C 1.333682 -1.998327 1.534817
C 1.382710 -0.805680 2.498737
C 0.158065 -1.716695 0.589290
C 0.092675 -0.025236 2.248951
C -1.717895 -0.024258 0.464589
C 3.496899 -0.766494 -0.025094
C -2.803361 0.399819 1.261758
C -1.785842 0.094790 -0.947375
C 3.031829 -0.304830 -1.302431
C -3.958302 0.942286 0.659172
C -2.935827 0.625958 -1.551017
C -4.027241 1.052695 -0.751969
C 4.448074 -0.016482 0.706578
C 3.551138 0.935286 -1.790224
C 4.949850 1.206012 0.210858
C 4.487960 1.672539 -1.044911
C -6.278113 2.022560 -0.682547
H 1.129255 -2.954107 2.050269
H 2.228967 -0.131550 2.267241
H 1.462317 -1.091102 3.559855
H -2.745430 0.323668 2.350146
H -0.944345 -0.234035 -1.562153
H -4.785213 1.269405 1.295485
H -3.012027 0.723735 -2.637801
H 4.804212 -0.415127 1.663232
H 3.208193 1.308027 -2.763204
H 5.684671 1.777306 0.785791
H 4.865386 2.619351 -1.448105
H 1.841098 -0.712735 -2.974020
H 1.737280 -1.910444 -1.695607
H -6.723233 1.190683 -0.102920
H -7.000706 2.382890 -1.429043
H -6.004354 2.848847 0.001775


