%chk=000286929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286929

0 1
S 0.352916 1.252335 0.822209
O -0.933877 0.257171 -0.529675
O 0.561787 0.554239 2.284071
O 0.027035 2.848600 0.710429
O 5.677397 -1.851937 -1.069097
O 4.274855 -2.412050 0.614194
N 4.637753 -1.656855 -0.350136
C -2.646191 -2.061030 0.281488
C -3.165980 -0.635479 -0.006249
C -3.803638 -3.053842 0.573434
C -1.706904 -2.047351 1.526492
C -1.868137 -2.595105 -0.963044
C -2.282754 0.453031 -0.381505
C -4.547812 -0.329114 0.024400
C -2.795671 1.758758 -0.674582
C -5.049573 0.965905 -0.250105
C -4.170986 2.020262 -0.600885
C 1.888901 0.890733 -0.209259
C 2.647021 -0.236893 0.126395
C 2.207556 1.768417 -1.260081
C 3.794381 -0.471537 -0.660542
C 3.368808 1.497560 -2.021722
C 4.167827 0.372599 -1.729003
H -3.374709 -4.052492 0.771382
H -4.387867 -2.763346 1.466384
H -4.493434 -3.152252 -0.285347
H -2.246618 -1.701737 2.426980
H -1.338099 -3.072175 1.719352
H -0.835309 -1.392042 1.382752
H -1.514571 -3.624042 -0.764475
H -2.521222 -2.622327 -1.855222
H -0.996904 -1.959037 -1.187190
H -5.262481 -1.115928 0.277769
H -2.077443 2.540474 -0.941251
H -6.128554 1.148380 -0.192151
H -4.558198 3.021758 -0.814103
H 2.386504 -0.896741 0.959494
H 1.578862 2.641828 -1.459312
H 3.646604 2.164932 -2.842784
H 5.068530 0.140529 -2.303304


%chk=000286929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286929

0 1
S 0.420570 0.939157 0.967686
O -0.859500 0.025608 -0.459269
O 0.734251 0.090219 2.327953
O -0.014977 2.511897 1.051469
O 5.926992 -1.476769 -1.401961
O 4.647103 -2.324103 0.287040
N 4.900124 -1.447310 -0.622147
C -2.802579 -2.109064 0.350307
C -3.183237 -0.662619 -0.032938
C -4.056159 -2.993079 0.592889
C -1.960388 -2.106735 1.663534
C -1.979354 -2.764548 -0.803748
C -2.190859 0.334816 -0.392076
C -4.533614 -0.244376 -0.098471
C -2.577937 1.666633 -0.756567
C -4.909968 1.074460 -0.451318
C -3.928740 2.040399 -0.782167
C 1.941916 0.813448 -0.140004
C 2.810306 -0.266868 0.057195
C 2.139136 1.813141 -1.107834
C 3.939638 -0.319207 -0.786958
C 3.285028 1.723869 -1.931477
C 4.191194 0.653237 -1.778939
H -3.726729 -4.016277 0.848113
H -4.670186 -2.624927 1.435977
H -4.695998 -3.065465 -0.306409
H -2.519352 -1.636893 2.493467
H -1.731391 -3.149525 1.952524
H -1.005756 -1.571794 1.548474
H -1.723359 -3.804587 -0.528231
H -2.565914 -2.792023 -1.741053
H -1.046816 -2.208908 -0.990264
H -5.325088 -0.959441 0.138027
H -1.784283 2.378513 -1.002636
H -5.971979 1.344158 -0.468553
H -4.218386 3.060374 -1.054239
H 2.642306 -1.023298 0.829834
H 1.431548 2.643323 -1.197114
H 3.468522 2.489623 -2.690899
H 5.083719 0.559139 -2.403016


