%chk=000212762.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212762

0 1
S 2.497730 -2.650480 -0.916639
O 5.580870 -0.382207 -1.159910
O -3.072008 -0.613410 -0.028032
O -1.374810 -0.622490 2.957028
O -4.693563 1.316220 1.384008
N 3.390335 -0.219769 -0.449336
N -0.509464 -1.301164 0.969502
C 2.153874 -0.990628 -0.150726
C 1.947529 -1.200304 1.352398
C 0.923764 -0.412227 -0.853155
C 0.643698 -1.952962 1.652623
C -0.352769 -1.192535 -0.501077
C 4.299840 -2.430402 -1.030518
C 4.533971 -0.931468 -0.899771
C 3.398622 1.225821 -0.355930
C -1.430214 -0.600346 1.733365
C 5.017185 -3.205600 0.050738
C -2.540336 0.214888 1.046417
C 4.040864 1.979605 -1.356136
C 2.766950 1.872894 0.720050
C -3.652908 0.551943 2.047637
C 4.039077 3.372495 -1.273338
C 2.769449 3.268039 0.782420
C -4.302531 -0.177663 -0.511185
C 3.399893 4.021647 -0.211405
C -5.103219 0.752317 0.186806
C -4.729205 -0.722671 -1.724036
C -6.330532 1.165917 -0.337794
C -5.963453 -0.310997 -2.238743
C -6.749233 0.627096 -1.558786
H 1.932866 -0.208536 1.867964
H 2.804077 -1.741294 1.803007
H 1.065308 -0.402509 -1.954998
H 0.799422 0.656967 -0.573795
H 0.458868 -1.977858 2.754930
H 0.701393 -3.011671 1.310174
H -0.319962 -2.224882 -0.924870
H -1.243599 -0.707471 -0.966374
H 4.632230 -2.764011 -2.046950
H 6.105934 -3.039472 -0.002882
H 4.699479 -2.920960 1.062932
H 4.849824 -4.287714 -0.047227
H -2.124304 1.135830 0.575217
H 4.561729 1.480768 -2.175707
H 2.288763 1.295961 1.516179
H -4.106407 -0.357149 2.484554
H -3.319275 1.233849 2.852308
H 4.542560 3.956603 -2.044214
H 2.280775 3.769100 1.617998
H 3.400573 5.108238 -0.156130
H -4.109603 -1.449746 -2.243643
H -6.935594 1.889160 0.205667
H -6.313207 -0.726672 -3.182813
H -7.703758 0.939910 -1.980701


%chk=000212762-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212762

0 1
S 2.430658 -2.761349 -0.261435
O 5.471233 -0.475231 -1.464632
O -3.345947 -0.832394 0.083838
O -1.755229 -0.096125 3.032418
O -4.924988 1.522969 0.789774
N 3.445141 -0.238974 -0.293787
N -0.577954 -0.830563 1.159116
C 2.162590 -0.878274 0.112141
C 1.863868 -0.721349 1.620928
C 0.971628 -0.348352 -0.725994
C 0.514691 -1.372172 1.999059
C -0.365271 -0.994708 -0.295334
C 4.018957 -2.434194 -1.242349
C 4.395296 -0.961169 -1.020882
C 3.659846 1.178408 -0.055449
C -1.665583 -0.234522 1.768825
C 5.158269 -3.380353 -0.826621
C -2.786908 0.307099 0.863252
C 3.394692 2.110272 -1.086307
C 4.170756 1.619990 1.187191
C -3.902936 0.953419 1.695781
C 3.619539 3.486521 -0.864983
C 4.390197 2.997945 1.406416
C -4.568884 -0.518465 -0.569473
C 4.111185 3.933428 0.383514
C -5.326637 0.635516 -0.232317
C -5.016168 -1.393113 -1.579473
C -6.514455 0.923009 -0.935383
C -6.213553 -1.109731 -2.271691
C -6.956378 0.054529 -1.956281
H 1.820335 0.356138 1.869608
H 2.676486 -1.183115 2.208642
H 1.150699 -0.557112 -1.796369
H 0.907726 0.750087 -0.592863
H 0.260925 -1.166184 3.050996
H 0.568432 -2.470927 1.859372
H -0.339319 -2.077253 -0.532286
H -1.207321 -0.565467 -0.855429
H 3.790491 -2.567182 -2.314927
H 6.072317 -3.106785 -1.383048
H 5.364230 -3.296463 0.253943
H 4.903389 -4.429557 -1.055192
H -2.393297 1.057673 0.144453
H 3.036262 1.751977 -2.057269
H 4.412131 0.886283 1.963281
H -4.362324 0.204372 2.364904
H -3.525574 1.795242 2.292266
H 3.419003 4.206099 -1.666043
H 4.786991 3.337936 2.369023
H 4.286089 5.001245 0.554049
H -4.417404 -2.280476 -1.808862
H -7.078132 1.819971 -0.660314
H -6.560876 -1.791730 -3.054457
H -7.881421 0.281162 -2.496242


