%chk=000216491.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216491

0 1
S -2.428643 -1.491903 -0.012624
O -2.427256 2.359290 0.563738
O -4.109771 0.894548 0.159734
N 0.508966 -0.493551 0.508958
N 3.809496 2.277334 0.194334
C 1.887744 0.071020 0.619228
C 2.466566 0.409356 -0.763047
C 3.867913 1.029553 -0.638718
C 0.335298 -1.888779 0.217594
C -0.533405 0.423645 0.491624
C -0.943630 -2.430025 -0.029885
C -1.838707 0.119470 0.292826
C 1.449381 -2.747857 0.195846
C 3.219281 3.413043 -0.574780
C 5.173973 2.641101 0.682079
C -1.102276 -3.788204 -0.298070
C 1.281529 -4.110971 -0.069744
C 0.013576 -4.634722 -0.319317
C -2.926034 1.084062 0.315513
C -3.384028 3.461223 0.599928
C -3.773452 3.854240 -0.810813
H 1.863285 0.987353 1.258608
H 2.541801 -0.650793 1.158827
H 1.786637 1.101785 -1.299105
H 2.519987 -0.499967 -1.394153
H 4.284913 1.202165 -1.654615
H 4.549076 0.304457 -0.141119
H -0.244778 1.477991 0.680479
H 2.450782 -2.368084 0.393314
H 3.796447 3.725308 -1.457303
H 3.117145 4.281971 0.095579
H 2.204178 3.140239 -0.905580
H 5.911506 2.844566 -0.107710
H 5.558453 1.828582 1.318962
H 5.098381 3.537504 1.319463
H -2.095361 -4.200842 -0.492012
H 2.153715 -4.764029 -0.080050
H -0.114057 -5.694778 -0.528050
H -4.253874 3.151676 1.207353
H -2.793932 4.235238 1.122267
H -4.383273 4.764182 -0.821635
H -2.892333 4.027753 -1.440036
H -4.361319 3.056153 -1.291486


%chk=000216491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216491

0 1
S -2.565045 -1.592977 0.047438
O -2.382334 2.426508 0.571265
O -4.157127 0.920596 0.239513
N 0.501703 -0.533886 0.431179
N 3.805976 2.304422 0.170657
C 1.863170 0.038567 0.581681
C 2.573773 0.307290 -0.765343
C 3.929665 1.015840 -0.556028
C 0.328572 -1.936311 0.172412
C -0.555415 0.364171 0.453608
C -0.964239 -2.515447 -0.012808
C -1.892133 0.099910 0.304095
C 1.458091 -2.794005 0.102476
C 3.138882 3.356436 -0.625410
C 5.103599 2.768236 0.705523
C -1.089410 -3.898503 -0.254172
C 1.322383 -4.180894 -0.132735
C 0.044534 -4.741684 -0.312835
C -2.919257 1.135948 0.358128
C -3.377297 3.535598 0.622097
C -3.717981 4.035308 -0.785524
H 1.782187 0.994441 1.125498
H 2.476551 -0.623872 1.219251
H 1.909857 0.916358 -1.407393
H 2.751496 -0.637670 -1.312493
H 4.427672 1.148582 -1.551422
H 4.589876 0.358901 0.044524
H -0.275380 1.408312 0.620427
H 2.463144 -2.387119 0.233524
H 3.697109 3.615506 -1.560925
H 3.044416 4.273115 -0.016943
H 2.121390 3.040866 -0.913750
H 5.853617 3.005154 -0.091296
H 5.535714 1.992941 1.363036
H 4.951345 3.680828 1.309150
H -2.090083 -4.322479 -0.395709
H 2.218588 -4.808555 -0.175472
H -0.079777 -5.813174 -0.498273
H -4.281371 3.175336 1.144009
H -2.873777 4.309218 1.225003
H -4.394631 4.908039 -0.719924
H -2.806491 4.344173 -1.326579
H -4.227663 3.246278 -1.363058


