%chk=000276216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276216

0 1
S -1.320833 -0.820504 -1.501284
O -3.558303 -2.880037 -1.462154
O -2.728435 -2.474399 0.581675
N -4.417053 -0.121191 0.568571
C -0.110634 -0.024377 -0.348977
C 0.233000 1.270790 -1.061824
C -0.780139 0.450346 0.923798
C 0.956837 -1.064742 -0.132758
C -0.247165 2.385839 -0.305811
C -0.856410 1.878642 0.933109
C 2.354113 -0.727016 -0.003425
C 0.864635 1.462132 -2.279242
C -1.265721 -0.288203 1.988392
C -0.090092 3.679610 -0.778463
C -1.426220 2.549000 2.004178
C 0.574149 -2.388745 -0.038855
C -2.832994 0.176178 -1.421646
C 3.310547 -1.780221 0.014951
C 1.021124 2.778898 -2.752060
C -1.840301 0.399326 3.075285
C 0.551892 3.866730 -2.016493
C -1.919859 1.790862 3.082539
C -3.893696 -0.670956 -0.701799
C 1.537587 -3.434151 0.024557
C 2.839089 0.609631 0.165299
C 2.875749 -3.143266 0.010989
C 4.708477 -1.475779 0.074117
C 4.183280 0.877652 0.242821
C 5.136921 -0.176970 0.173218
C -3.295781 -2.050336 -0.396405
H 1.235685 0.616960 -2.858826
H -1.225810 -1.382389 1.982990
H -0.449463 4.533104 -0.209114
H -1.484040 3.634292 2.021416
H -0.480863 -2.688578 0.001303
H -3.137844 0.403826 -2.462755
H -2.660618 1.153503 -0.933514
H 1.517997 2.943811 -3.707623
H -2.222675 -0.173173 3.920650
H 0.683329 4.877580 -2.400508
H -2.363739 2.304184 3.935005
H -4.780389 -0.818654 -1.386967
H 1.184986 -4.463795 0.071511
H 2.126664 1.428756 0.266099
H 3.624386 -3.933893 0.019591
H 5.421176 -2.298722 0.046731
H 4.538991 1.899156 0.368535
H 6.197077 0.065280 0.214899
H -4.728021 0.838341 0.449165
H -3.707836 -0.130364 1.303219
H -3.185561 -3.792768 -1.342708


%chk=000276216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276216

0 1
S -1.525817 -1.303212 -1.060512
O -5.343409 -1.471917 -2.193951
O -4.791946 -2.779344 -0.353032
N -4.011389 -0.501317 1.055594
C 0.000527 -0.248582 -0.355278
C 0.156375 0.975395 -1.260938
C -0.452656 0.379024 0.963614
C 1.218320 -1.192305 -0.263207
C -0.288574 2.151618 -0.583890
C -0.672126 1.779929 0.796010
C 2.500730 -0.686199 0.206549
C 0.622456 1.038842 -2.583891
C -0.675790 -0.242736 2.202849
C -0.269856 3.402219 -1.237168
C -1.143216 2.561785 1.873187
C 1.122464 -2.546932 -0.609931
C -2.895001 -0.011662 -1.217562
C 3.627217 -1.601107 0.295347
C 0.646698 2.296011 -3.236818
C -1.136029 0.544844 3.287368
C 0.200918 3.465903 -2.570347
C -1.376221 1.933428 3.120288
C -4.178015 -0.375216 -0.386628
C 2.234138 -3.438877 -0.520180
C 2.730018 0.678074 0.596060
C 3.467712 -2.975930 -0.074872
C 4.899906 -1.125856 0.756216
C 3.980493 1.112454 1.041540
C 5.081544 0.206575 1.124896
C -4.789114 -1.668493 -0.921699
H 0.959471 0.132704 -3.097957
H -0.498042 -1.316383 2.324318
H -0.605566 4.311530 -0.725886
H -1.317301 3.637282 1.756089
H 0.172220 -2.954993 -0.964244
H -3.138447 0.085363 -2.288703
H -2.503220 0.952233 -0.854932
H 1.012569 2.367014 -4.267137
H -1.310929 0.079636 4.263642
H 0.225503 4.428522 -3.093169
H -1.737897 2.525212 3.968406
H -4.901007 0.434015 -0.618255
H 2.100825 -4.487904 -0.804864
H 1.916860 1.402046 0.544365
H 4.329356 -3.649905 -0.000221
H 5.732336 -1.837658 0.813086
H 4.117582 2.160496 1.329900
H 6.057317 0.559846 1.475679
H -3.482107 0.255821 1.495700
H -3.704357 -1.433058 1.351143
H -5.698327 -2.337031 -2.535171


