%chk=000280471.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280471

0 1
S -0.761900 2.507382 1.304728
O -1.426536 3.368875 2.268414
O 0.184951 3.113034 0.386562
N 0.991903 0.604417 1.562086
N 0.107185 1.395314 2.334776
C 2.379493 1.200229 1.465704
C 1.031187 -0.803682 2.101360
C 2.970240 0.742126 0.154858
C 0.217790 -1.678584 1.174969
C -1.911332 1.560770 0.460509
C -3.276051 1.722294 0.737635
C -1.502040 0.636763 -0.507867
C 3.971430 -0.237510 0.119962
C -1.038815 -2.153787 1.575987
C 2.504162 1.313954 -1.040168
C 0.728848 -2.035144 -0.082656
C -3.818010 0.048247 -0.931566
C -4.226525 0.975801 0.045359
C -2.450390 -0.115400 -1.203387
C 4.503261 -0.643535 -1.108736
C -1.769080 -2.995683 0.731675
C 3.038203 0.902403 -2.261841
C -0.006021 -2.874928 -0.922406
C 4.037792 -0.077416 -2.298643
C -1.253574 -3.360828 -0.515636
C -4.834638 -0.744280 -1.683642
H 3.031367 0.946838 2.325681
H 2.302323 2.317148 1.447651
H 0.639779 -0.865380 3.141952
H 2.076499 -1.183642 2.144053
H 0.457668 1.749387 3.239797
H -3.596866 2.441543 1.501615
H -0.434051 0.491633 -0.718730
H 4.342135 -0.680809 1.040616
H -1.451785 -1.860155 2.539423
H 1.722883 2.084434 -0.998155
H 1.696359 -1.646472 -0.405818
H -5.284212 1.109847 0.261116
H -2.120940 -0.841001 -1.945506
H 5.283614 -1.401731 -1.135766
H -2.742900 -3.364954 1.047674
H 2.678632 1.348069 -3.188010
H 0.395816 -3.153413 -1.894996
H 4.454090 -0.393943 -3.252404
H -1.819678 -4.021683 -1.167412
H -4.451567 -1.724162 -2.000918
H -5.743773 -0.929791 -1.095385
H -5.144924 -0.209600 -2.595315


%chk=000280471-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280471

0 1
S -2.480241 -0.500838 0.370401
O -1.747910 0.525855 1.694186
O -1.309830 -0.863313 -0.753134
N 1.227039 -0.683954 2.150660
N 0.109081 -1.008021 2.617538
C 1.563743 0.762900 1.655444
C 2.398849 -1.681040 2.058824
C 2.279252 0.814134 0.323725
C 1.949940 -3.087026 1.717577
C -3.392912 0.947579 -0.423802
C -4.314041 1.701392 0.326475
C -3.134897 1.211744 -1.778492
C 3.617569 1.281363 0.245369
C 2.460159 -4.183890 2.452180
C 1.610585 0.414708 -0.865173
C 1.059720 -3.326810 0.638386
C -4.766601 3.058244 -1.684670
C -4.997697 2.757666 -0.315608
C -3.828296 2.271535 -2.403076
C 4.284505 1.351246 -0.998006
C 2.107123 -5.508377 2.105837
C 2.284459 0.479394 -2.104947
C 0.702720 -4.648833 0.298536
C 3.618185 0.946175 -2.177905
C 1.227386 -5.743764 1.025604
C -5.484261 4.215726 -2.356338
H 2.182964 1.206657 2.457500
H 0.580515 1.263237 1.626782
H 2.905584 -1.647998 3.041179
H 3.085729 -1.274937 1.296914
H -1.027596 -0.094235 2.233309
H -4.477840 1.491112 1.388197
H -2.395278 0.601636 -2.310336
H 4.135432 1.601534 1.159047
H 3.134210 -4.005220 3.299543
H 0.570636 0.056572 -0.824942
H 0.624457 -2.492442 0.075000
H -5.715605 3.358407 0.255392
H -3.638911 2.490148 -3.460847
H 5.315010 1.720463 -1.046629
H 2.510096 -6.349166 2.681478
H 1.763089 0.166466 -3.016537
H 0.009577 -4.822513 -0.531854
H 4.132979 0.996038 -3.144080
H 0.946559 -6.768516 0.757344
H -5.633201 4.030035 -3.434442
H -6.472355 4.401584 -1.900286
H -4.897675 5.150337 -2.262126


