%chk=000240291.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240291

0 1
S -3.434581 1.184957 0.354514
O 3.520703 1.030073 0.702994
O 4.118240 -1.848488 2.012969
O 5.051837 -1.685140 -0.309914
O 3.641523 2.099429 -2.204979
N 1.369456 0.457538 1.491058
N -0.588582 1.614212 1.897892
N 0.556780 -0.982946 -0.393487
N -1.844810 -0.570215 -0.894325
N -0.553561 -2.093758 -2.162452
C 3.146207 -1.303516 1.140588
C 2.809024 0.150802 1.580849
C 3.721128 -1.153003 -0.298107
C 3.893731 0.360929 -0.538780
C 3.027941 0.922736 -1.673392
C 0.425663 -0.019744 0.571166
C 0.683475 1.477007 2.258072
C -0.798543 0.700759 0.848661
C -1.926131 0.372299 0.066469
C -0.611060 -1.201373 -1.103908
C -4.573540 0.470047 -0.876287
C -5.893887 1.209696 -0.725204
C -6.667700 0.804628 0.538109
C -8.024075 1.501706 0.609277
H 2.288339 -2.007243 1.218683
H 3.182479 0.406732 2.602896
H 3.098119 -1.663517 -1.059214
H 4.968106 0.639115 -0.673033
H 2.001948 1.153884 -1.333009
H 2.989675 0.244238 -2.547634
H 5.021636 -1.478077 1.801748
H 5.024799 -2.665891 -0.213778
H 1.199492 2.028027 3.033036
H 3.623087 2.819177 -1.535180
H -4.678644 -0.619350 -0.711523
H -4.150802 0.589296 -1.893460
H -5.739434 2.309172 -0.737616
H -6.519195 1.002687 -1.620827
H -6.808909 -0.293952 0.558843
H -6.077511 1.047082 1.444968
H 0.233329 -2.719609 -2.234092
H -1.418584 -2.393799 -2.589884
H -8.568814 1.211743 1.515481
H -8.658037 1.248855 -0.247913
H -7.917918 2.592693 0.629523


%chk=000240291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240291

0 1
S -3.609593 1.207504 0.625854
O 3.426818 1.124309 0.356761
O 4.312332 -1.320414 2.214271
O 4.790947 -2.169543 -0.259005
O 4.326054 1.976514 -2.220415
N 1.328139 0.642347 1.445613
N -0.657670 1.615001 2.089327
N 0.521603 -0.637397 -0.530050
N -1.897589 -0.325421 -0.894129
N -0.618571 -1.674640 -2.307097
C 3.185449 -1.092866 1.316650
C 2.771309 0.392474 1.457751
C 3.657258 -1.230976 -0.165496
C 4.162546 0.177886 -0.532452
C 3.873368 0.607600 -1.972718
C 0.363054 0.197031 0.533228
C 0.649174 1.498506 2.346266
C -0.860191 0.806364 0.953079
C -2.010319 0.499382 0.178176
C -0.658023 -0.850407 -1.203308
C -4.705258 0.486207 -0.754960
C -6.115217 1.090254 -0.651348
C -6.888546 0.702430 0.631116
C -8.319244 1.281501 0.651303
H 2.352647 -1.777366 1.563461
H 3.157428 0.778712 2.417162
H 2.805450 -1.534492 -0.798192
H 5.243128 0.261387 -0.308554
H 2.785082 0.500281 -2.169021
H 4.442856 -0.024487 -2.675718
H 4.988035 -1.837784 1.689130
H 4.464426 -3.071209 -0.501732
H 1.175934 1.994963 3.159098
H 3.905143 2.554995 -1.532921
H -4.708885 -0.609202 -0.631945
H -4.211118 0.731931 -1.708015
H -6.057470 2.193938 -0.734321
H -6.688205 0.741279 -1.535619
H -6.930078 -0.402933 0.709142
H -6.332442 1.055961 1.521228
H 0.264872 -2.072233 -2.610604
H -1.476464 -1.836189 -2.826531
H -8.856135 0.994752 1.573702
H -8.909994 0.917385 -0.210809
H -8.299642 2.386565 0.602442


