%chk=000296320.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296320

0 1
S -3.340062 0.421269 -0.412738
O -1.475017 3.573235 -2.692901
O -0.398102 -1.967519 1.802806
N 5.121160 -0.275175 0.131234
N 1.538987 -0.363447 1.284329
C 3.705783 -0.758670 0.115797
C -0.749103 -0.062428 0.466162
C 2.989739 -0.077483 1.306340
C 0.635293 0.337385 0.526772
C -1.621346 0.765669 -0.269245
C -1.221426 1.913555 -0.940115
C 5.649156 -0.036455 -1.252655
C 6.004009 -1.211191 0.905949
C -2.185524 2.787402 -1.717508
C 1.056911 1.499084 -0.198371
C -1.184906 -1.286181 1.138676
C 0.152370 2.254527 -0.903610
C -2.587570 -1.779694 1.044469
C -3.609868 -1.105318 0.382132
C 4.990880 1.202304 -1.861406
C 7.275959 -0.483812 1.343829
C -2.983965 3.715746 -0.805013
C -2.893015 -3.007854 1.671761
C -4.915869 -1.611862 0.324882
C -4.183930 -3.525440 1.624335
C -5.196998 -2.825803 0.949642
H 3.607989 -1.861827 0.181952
H 3.201005 -0.468024 -0.832830
H 3.184716 1.020906 1.284567
H 3.401375 -0.442273 2.273641
H 1.233114 -1.230546 1.773764
H 6.746971 0.136526 -1.174225
H 5.512674 -0.912666 -1.922556
H 5.450381 -1.548330 1.810560
H 6.264572 -2.128463 0.334651
H -2.843567 2.178080 -2.387355
H 2.108862 1.783366 -0.182455
H 0.490199 3.132304 -1.462120
H 3.924804 1.046009 -2.064377
H 5.067412 2.060773 -1.180811
H 5.472560 1.478165 -2.805295
H 7.924897 -0.242032 0.494312
H 7.033245 0.466609 1.838876
H 7.854594 -1.091927 2.046516
H -2.338677 4.270787 -0.115245
H -3.704229 3.165496 -0.186391
H -3.553028 4.444546 -1.395498
H -2.091850 -3.540819 2.196437
H -5.703012 -1.070225 -0.200082
H -4.410904 -4.473087 2.110360
H -6.207141 -3.234789 0.914428
H -1.022108 4.332193 -2.280178


%chk=000296320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296320

0 1
S -3.516120 0.399179 -0.430017
O -1.666352 3.575126 -2.879843
O -0.330018 -1.959657 1.810377
N 5.193015 -0.302566 0.062714
N 1.533144 -0.354131 1.142362
C 3.744202 -0.591086 -0.050498
C -0.803873 -0.047407 0.413026
C 2.968480 -0.061968 1.189099
C 0.604446 0.368421 0.429795
C -1.725868 0.773627 -0.328891
C -1.330949 1.935944 -1.033330
C 5.838462 0.031358 -1.235193
C 5.928626 -1.338817 0.837580
C -2.326629 2.821470 -1.796371
C 0.988406 1.531385 -0.306584
C -1.197451 -1.270576 1.130395
C 0.043449 2.279102 -1.010957
C -2.594286 -1.796847 1.110565
C -3.682468 -1.165600 0.459235
C 5.484158 1.446134 -1.731976
C 7.190333 -0.790484 1.531797
C -3.092498 3.788466 -0.864313
C -2.846659 -3.020940 1.796287
C -4.983006 -1.730003 0.486633
C -4.129204 -3.589405 1.829693
C -5.204887 -2.939240 1.170166
H 3.535377 -1.681510 -0.168413
H 3.343879 -0.097416 -0.953864
H 3.157166 1.023018 1.287824
H 3.373579 -0.536170 2.101487
H 1.128529 -1.184268 1.626945
H 6.932779 -0.024868 -1.090380
H 5.585023 -0.721561 -2.023679
H 5.243462 -1.729778 1.613096
H 6.200005 -2.212284 0.192033
H -3.050077 2.179562 -2.333326
H 2.037159 1.837813 -0.324420
H 0.373689 3.140788 -1.600405
H 4.398772 1.560128 -1.910287
H 5.788899 2.197822 -0.983048
H 6.000947 1.663154 -2.685533
H 7.924840 -0.400918 0.803833
H 6.919552 0.033824 2.214273
H 7.688711 -1.587368 2.115054
H -2.386039 4.471947 -0.353697
H -3.646579 3.239680 -0.083026
H -3.814312 4.388429 -1.446915
H -1.993967 -3.492067 2.294022
H -5.808835 -1.224199 -0.025657
H -4.299611 -4.530787 2.362066
H -6.210006 -3.374253 1.188747
H -1.330994 4.432393 -2.512284


