%chk=000220328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220328

0 1
S -1.169434 -0.709640 1.157291
O 0.127479 0.723442 -0.657136
N 1.430949 -0.624981 0.731657
C -2.575315 0.161481 0.330448
C -3.481375 -0.913260 -0.262825
C -3.271614 1.000947 1.397456
C -4.744661 -0.261018 -0.849468
C -4.535532 1.647532 0.805932
C -5.471085 0.592284 0.199626
C 0.253808 -0.070118 0.241059
C 2.748587 -0.339226 0.236976
C 3.827539 -0.998061 0.862525
C 2.974639 0.554316 -0.822945
C 5.126218 -0.752386 0.416157
C 4.283245 0.783847 -1.251902
C 5.360190 0.136045 -0.638935
H -2.156859 0.816269 -0.477359
H -3.773444 -1.657616 0.504734
H -2.950370 -1.481473 -1.051926
H -2.592209 1.786773 1.782700
H -3.549928 0.382002 2.273783
H -5.422544 -1.044900 -1.235915
H -4.472998 0.365186 -1.721513
H -4.251414 2.387568 0.032618
H -5.065184 2.216390 1.592832
H -6.348513 1.085816 -0.258532
H -5.869741 -0.059168 1.001063
H 1.381902 -1.294074 1.508478
H 3.659963 -1.690613 1.683218
H 2.138879 1.066560 -1.309508
H 5.963865 -1.258614 0.895716
H 4.462060 1.476932 -2.074499
H 6.375596 0.321757 -0.980605


%chk=000220328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220328

0 1
S -1.134510 -0.676946 1.414640
O 0.081890 0.732452 -0.651033
N 1.475781 -0.545953 0.757618
C -2.605843 0.164064 0.526729
C -3.442811 -0.881713 -0.237323
C -3.447505 0.952749 1.550015
C -4.648903 -0.198806 -0.934367
C -4.653954 1.627216 0.845037
C -5.511488 0.594440 0.075741
C 0.260966 -0.040514 0.323009
C 2.774029 -0.310041 0.214315
C 3.869521 -0.945849 0.859066
C 3.003241 0.514581 -0.918835
C 5.180808 -0.760054 0.377532
C 4.323439 0.689182 -1.387640
C 5.417338 0.059792 -0.750746
H -2.109882 0.851563 -0.186247
H -3.812899 -1.649943 0.471369
H -2.809817 -1.400275 -0.980289
H -2.818766 1.710374 2.052359
H -3.821312 0.264341 2.335077
H -5.259968 -0.965169 -1.448809
H -4.274589 0.491900 -1.717804
H -4.279930 2.393312 0.134898
H -5.268958 2.159941 1.595658
H -6.343311 1.103351 -0.448480
H -5.970582 -0.111541 0.798886
H 1.438896 -1.165497 1.572102
H 3.694418 -1.583728 1.735214
H 2.160681 1.001885 -1.412661
H 6.016192 -1.255679 0.884239
H 4.494486 1.326301 -2.262620
H 6.436043 0.204262 -1.125447


