%chk=000210051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210051

0 1
S -2.274354 -0.411635 2.111048
O -2.130275 -0.038918 -2.885098
N -0.287045 -0.859469 -1.835301
N -0.118754 -1.117808 0.550573
N 2.548644 -1.119768 -1.888858
C -3.485047 0.258090 -0.082358
C -4.513648 0.770617 -1.032833
C -5.897220 0.836210 -0.364900
C -5.821418 1.441732 1.045850
C -4.916921 0.609768 1.979831
C -3.679864 0.213517 1.269480
C -2.178097 -0.221877 -0.472606
C -1.402195 -0.621270 0.619363
C -1.641602 -0.321466 -1.811342
C 0.404582 -1.226025 -0.677439
C 1.795917 -1.815059 -0.805152
C 3.050429 0.225182 -1.480358
C 4.158506 0.180694 -0.455127
C 3.864356 0.323706 0.908138
C 5.484987 -0.020142 -0.863759
C 4.891323 0.265092 1.854772
C 6.508412 -0.077336 0.086080
C 6.213470 0.064120 1.446121
H -4.205681 1.776417 -1.392960
H -4.546328 0.138971 -1.947238
H -6.586802 1.429243 -0.993651
H -6.328196 -0.182635 -0.309274
H -6.834803 1.517169 1.480108
H -5.431107 2.476315 0.983240
H -5.461692 -0.297944 2.320531
H -4.690205 1.192981 2.895658
H 0.187839 -0.926434 -2.747681
H 1.697231 -2.897077 -1.065764
H 2.301986 -1.783159 0.193947
H 3.340813 -1.709113 -2.176227
H 2.194377 0.836866 -1.113204
H 3.395557 0.732937 -2.412634
H 2.835779 0.483013 1.234399
H 5.721822 -0.125491 -1.920759
H 4.659009 0.377237 2.913198
H 7.537971 -0.230308 -0.233945
H 7.011845 0.019961 2.184627


%chk=000210051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210051

0 1
S -2.571825 -0.693702 2.228238
O -1.952240 0.346293 -2.749521
N -0.198576 -0.646606 -1.550164
N -0.250363 -1.201801 0.770829
N 2.463074 -1.129158 -1.730887
C -3.573715 0.265850 -0.067670
C -4.548281 0.878039 -1.058249
C -5.994820 0.864652 -0.507387
C -6.048095 1.347838 0.961828
C -5.245115 0.399315 1.893499
C -3.919469 0.062087 1.260016
C -2.224080 -0.167023 -0.363185
C -1.538149 -0.710653 0.749967
C -1.522037 -0.107538 -1.645535
C 0.379166 -1.156773 -0.404121
C 1.783698 -1.726266 -0.560515
C 3.108303 0.201936 -1.501767
C 4.293658 0.175788 -0.538475
C 4.124879 0.475967 0.837907
C 5.583800 -0.195918 -1.000576
C 5.215805 0.395126 1.734303
C 6.676536 -0.275879 -0.109492
C 6.493760 0.016683 1.263228
H -4.234186 1.917928 -1.279680
H -4.482298 0.343629 -2.022344
H -6.638976 1.501435 -1.142273
H -6.402523 -0.164869 -0.563229
H -7.095125 1.405997 1.313911
H -5.623347 2.369008 1.025533
H -5.826546 -0.528949 2.073252
H -5.099842 0.872564 2.884001
H 0.415137 -0.642613 -2.382229
H 1.695640 -2.817530 -0.725082
H 2.315271 -1.591395 0.403161
H 3.109113 -1.789457 -2.179259
H 2.326870 0.889066 -1.127292
H 3.425714 0.578524 -2.491390
H 3.139359 0.786218 1.207974
H 5.735510 -0.412191 -2.066633
H 5.069201 0.630778 2.794269
H 7.668040 -0.556725 -0.482332
H 7.340673 -0.042770 1.955869


