%chk=000214279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214279

1 1
S -0.709931 -0.177716 2.287877
O 5.537562 -1.984445 1.563795
O 0.189655 1.262774 0.195415
O -1.867583 -0.501948 -2.188195
N 3.082090 -0.858292 0.501268
N 0.382450 -0.334250 -2.184366
C 4.384141 -0.922253 -0.296805
C 3.103924 -1.942200 1.586233
C 1.894213 -1.147516 -0.418225
C 2.918530 0.500304 1.143015
C 5.616439 -0.906436 0.622241
C 4.391984 -1.889627 2.421299
C 1.673118 -0.087651 -1.527573
C -0.876772 -0.075498 -1.623863
C -1.074115 0.743494 -0.304354
C 0.434372 -1.134883 -3.436021
C -1.991558 1.917861 -0.590787
C -1.531068 -0.210698 0.743714
C -3.137399 2.159142 0.175453
C -1.658250 2.788174 -1.644121
C -2.521658 -1.141453 0.745422
C -2.625535 -1.852830 2.004941
C -3.944367 3.267547 -0.106353
C -2.465463 3.891682 -1.919715
C -1.719299 -1.455309 2.933548
C -3.611066 4.133188 -1.150488
H 4.393159 -1.865616 -0.897237
H 4.431489 -0.081635 -1.024601
H 2.206089 -1.839173 2.241092
H 3.029421 -2.945176 1.098466
H 0.964662 -1.199245 0.210929
H 2.014353 -2.154931 -0.877027
H 3.611573 0.648767 1.988683
H 3.087009 1.319937 0.421683
H 1.878756 0.637235 1.525969
H 5.751439 0.055517 1.147900
H 6.544876 -1.148824 0.058772
H 4.496708 -2.793858 3.061488
H 4.460684 -0.986921 3.055011
H 1.674953 0.948582 -1.100609
H 2.490813 -0.128974 -2.281983
H 1.013677 -0.602399 -4.207968
H -0.592636 -1.280124 -3.840798
H 0.864563 -2.132950 -3.268980
H 0.076307 2.214374 0.451809
H -3.416251 1.488942 0.990314
H -0.778410 2.596958 -2.257876
H -3.179012 -1.350586 -0.098055
H -3.376758 -2.622634 2.154489
H -4.839932 3.450272 0.489725
H -2.211153 4.562786 -2.740986
H -1.590046 -1.806479 3.944648
H -4.244746 4.993894 -1.371815


%chk=000214279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214279

1 1
S -0.673104 0.246928 2.319953
O 5.322719 -2.429710 1.779211
O 0.218437 1.751921 -0.040695
O -1.820830 -0.149541 -2.444017
N 3.114808 -0.885372 0.546894
N 0.485502 -0.243008 -2.227113
C 4.399741 -1.293618 -0.206171
C 2.914811 -1.857382 1.742051
C 1.880633 -1.052487 -0.373141
C 3.191497 0.556966 1.053298
C 5.600685 -1.430499 0.742722
C 4.182626 -2.002750 2.597077
C 1.769036 -0.026709 -1.527594
C -0.780497 0.174559 -1.799658
C -0.998975 0.977450 -0.458113
C 0.558135 -1.055319 -3.468082
C -2.137484 1.997545 -0.652834
C -1.271096 -0.051549 0.628857
C -3.228549 2.085773 0.241587
C -2.031880 2.932790 -1.718269
C -2.028313 -1.211478 0.568919
C -2.142380 -1.901054 1.833606
C -4.198712 3.100484 0.079695
C -3.000049 3.945472 -1.876888
C -1.476088 -1.269859 2.869441
C -4.086360 4.033625 -0.974592
H 4.187188 -2.270671 -0.672805
H 4.585384 -0.543298 -0.992659
H 2.059600 -1.475979 2.327263
H 2.648582 -2.832578 1.300471
H 0.999191 -0.951107 0.283009
H 1.914883 -2.085423 -0.762779
H 3.837206 0.604473 1.940418
H 3.611409 1.196645 0.263286
H 2.172695 0.895476 1.297787
H 5.884458 -0.459198 1.199012
H 6.464845 -1.812696 0.177046
H 4.022805 -2.804625 3.335196
H 4.429265 -1.072217 3.149548
H 1.797395 0.997688 -1.134600
H 2.575656 -0.164441 -2.269189
H 1.155587 -0.530007 -4.235046
H -0.462913 -1.205105 -3.847098
H 1.014342 -2.042850 -3.266501
H -0.043914 2.708842 -0.029532
H -3.333465 1.360805 1.054560
H -1.213351 2.852589 -2.444428
H -2.511256 -1.542164 -0.354431
H -2.709780 -2.825338 1.965867
H -5.043606 3.158308 0.773800
H -2.917293 4.654155 -2.707466
H -1.410537 -1.551028 3.919540
H -4.842690 4.815469 -1.100014


