%chk=000217753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217753

0 1
S 3.303127 1.489975 -1.975431
O 1.548037 -1.368100 1.575941
N -4.240082 -0.116087 0.011645
N 0.138172 -1.274092 -0.221893
N 1.945169 0.601865 -1.374640
C -4.030610 1.284112 0.510308
C -5.245767 -0.141712 -1.103313
C -5.358031 1.856649 1.034258
C -6.591846 0.409725 -0.603645
C -6.436703 1.833596 -0.055612
C -2.943671 -0.724214 -0.439817
C -2.144648 -1.161121 0.799650
C -0.940988 -2.042518 0.446893
C 1.299306 -0.944408 0.456883
C 2.279040 -0.075291 -0.300535
C 3.672310 0.067447 0.142742
C 4.386555 0.930781 -0.722599
C 4.320868 -0.507107 1.245619
C 5.732184 1.227156 -0.518367
C 5.665766 -0.212909 1.452912
C 6.365131 0.643967 0.579609
H -3.608204 1.957348 -0.266441
H -3.291950 1.242617 1.340390
H -5.376107 -1.199700 -1.418454
H -4.912346 0.428863 -1.996423
H -5.199676 2.885975 1.402679
H -5.696313 1.259034 1.904697
H -6.985277 -0.253620 0.193042
H -7.330671 0.387573 -1.424503
H -7.399409 2.192106 0.352715
H -6.169570 2.530428 -0.872104
H -2.337965 -0.039603 -1.070568
H -3.168458 -1.616671 -1.064302
H -2.817498 -1.718568 1.487074
H -1.814896 -0.275282 1.378230
H -1.238858 -2.878049 -0.225625
H -0.531292 -2.508681 1.378186
H -0.090941 -0.841065 -1.115736
H 3.759639 -1.163956 1.920957
H 6.272904 1.890645 -1.189532
H 6.189299 -0.648525 2.303927
H 7.418071 0.853418 0.769883


%chk=000217753-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217753

0 1
S 3.194409 0.633544 -2.487122
O 1.350952 -1.526059 1.666301
N -4.124901 -0.135483 0.001015
N 0.074365 -1.742866 -0.283993
N 1.871244 -0.324213 -1.700956
C -3.772764 1.113386 0.728081
C -5.012585 0.153801 -1.157161
C -5.035347 1.838529 1.237002
C -6.315187 0.844380 -0.705135
C -6.001898 2.143086 0.071556
C -2.929784 -0.915504 -0.407035
C -2.210899 -1.589039 0.780594
C -1.029667 -2.487968 0.341589
C 1.166826 -1.306422 0.425632
C 2.165249 -0.524351 -0.404593
C 3.414519 0.030035 0.100462
C 4.126473 0.716789 -0.934607
C 3.968830 -0.028242 1.408907
C 5.368866 1.340781 -0.696511
C 5.206445 0.592876 1.649900
C 5.900911 1.270985 0.608099
H -3.191387 1.808115 0.062755
H -3.122133 0.859889 1.583340
H -5.245165 -0.803816 -1.660672
H -4.496110 0.809537 -1.909814
H -4.737665 2.771838 1.752808
H -5.541567 1.191240 1.979047
H -6.878058 0.149198 -0.052532
H -6.943839 1.058353 -1.591103
H -6.933683 2.605686 0.448530
H -5.530113 2.876843 -0.614906
H -2.201047 -0.278309 -0.975770
H -3.273625 -1.708311 -1.101966
H -2.945751 -2.209327 1.328675
H -1.824083 -0.836861 1.491677
H -1.379318 -3.257722 -0.373380
H -0.613730 -3.001286 1.225938
H 0.044533 -1.482304 -1.275825
H 3.413449 -0.555247 2.189303
H 5.908140 1.863289 -1.492419
H 5.644432 0.555946 2.652782
H 6.864462 1.747206 0.820207


