%chk=000276451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276451

0 1
S 0.099059 -1.898348 0.571511
O -0.199040 -3.232610 0.092871
O -0.242978 -1.555475 1.944135
O -4.559412 -2.560712 -0.454158
O -5.525581 -1.096857 0.926747
O 0.390873 4.629427 -0.150180
N -0.806449 -0.825466 -0.449128
C -2.223216 -1.212282 -0.727098
C -3.132474 -0.906322 0.492943
C -0.529457 0.585805 -0.296474
C -2.743667 -0.511967 -1.982093
C 1.736503 -1.493008 0.251949
C -0.629074 1.235241 0.943993
C -0.123242 1.302582 -1.443313
C 2.409271 -0.574519 1.068449
C 2.407215 -2.093562 -0.819790
C -4.509981 -1.466978 0.384425
C -0.329105 2.595284 1.054053
C 0.173777 2.655026 -1.349377
C 3.739856 -0.251355 0.811627
C 3.739376 -1.773933 -1.082927
C 4.415060 -0.848315 -0.269565
C 0.064402 3.292500 -0.094432
C 5.838789 -0.495323 -0.538751
C 0.274729 5.405388 1.066909
H -2.222305 -2.329763 -0.905638
H -2.666065 -1.299046 1.432967
H -3.203537 0.193047 0.657756
H -2.076435 -0.688653 -2.835304
H -2.831716 0.573048 -1.855017
H -3.733308 -0.901300 -2.255609
H -0.927973 0.674962 1.838284
H -0.044076 0.784876 -2.400473
H 1.889387 -0.112031 1.915890
H 1.888668 -2.824261 -1.451632
H -0.408894 3.086268 2.018793
H 0.487042 3.233040 -2.216505
H 4.258193 0.463554 1.447935
H 4.254104 -2.245603 -1.917968
H 5.956726 0.583915 -0.720980
H 6.482277 -0.747264 0.318326
H 6.254104 -1.014480 -1.413188
H -5.466692 -2.964668 -0.499426
H 0.571230 6.405322 0.723151
H 0.967681 5.030188 1.825012
H -0.759946 5.405226 1.421896


%chk=000276451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276451

0 1
S 0.123285 -1.770483 0.777550
O -0.296136 -3.296422 0.386556
O -0.045768 -1.241044 2.320633
O -4.479809 -2.865463 -0.002865
O -5.677457 -0.887431 0.191004
O 0.300943 4.881845 0.048724
N -0.819733 -0.649697 -0.509196
C -2.200457 -1.188865 -0.720074
C -3.213507 -0.856813 0.424801
C -0.586457 0.752745 -0.274734
C -2.690241 -0.678189 -2.092767
C 1.906529 -1.469034 0.270981
C -0.964213 1.447704 0.906886
C 0.108456 1.464114 -1.294269
C 2.668701 -0.570966 1.032635
C 2.416074 -2.183542 -0.825250
C -4.575075 -1.479328 0.201426
C -0.681738 2.821614 1.055770
C 0.376688 2.835109 -1.163988
C 4.016914 -0.373530 0.659371
C 3.766699 -1.970304 -1.175303
C 4.583067 -1.065489 -0.443394
C -0.019864 3.520840 0.013868
C 6.042040 -0.871636 -0.814028
C -0.082442 5.643951 1.241983
H -2.083385 -2.288037 -0.761261
H -2.808800 -1.244735 1.379883
H -3.365594 0.230764 0.515630
H -1.966896 -0.952045 -2.878730
H -2.813589 0.419423 -2.091840
H -3.664510 -1.137651 -2.337570
H -1.440992 0.908107 1.729361
H 0.421174 0.914090 -2.187202
H 2.222549 -0.060562 1.892151
H 1.784308 -2.891571 -1.370604
H -0.974534 3.329151 1.979595
H 0.895412 3.393933 -1.948449
H 4.635526 0.325555 1.233577
H 4.193269 -2.515056 -2.025490
H 6.413888 0.118000 -0.497541
H 6.676051 -1.634929 -0.322677
H 6.200693 -0.966696 -1.902371
H -5.393466 -3.242320 -0.123854
H 0.258012 6.671017 1.046690
H 0.417749 5.249671 2.147406
H -1.179670 5.634801 1.387569


