%chk=000208932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208932

0 1
S 8.110729 -3.549628 0.234367
O 3.724596 1.595627 -0.196491
O 2.849208 4.087324 0.449473
O -3.030886 1.449091 -0.888955
O 9.450227 -3.963011 -0.114325
O 7.719848 -3.404173 1.615827
N -0.070092 1.943206 -0.120646
N 7.939699 -2.042824 -0.579510
N -8.273090 0.474524 0.727828
N -10.315183 0.834569 1.640893
C 2.015479 2.950208 0.676802
C 1.112816 2.738535 -0.560392
C 2.875641 1.712578 0.984930
C -0.730690 1.244264 -1.264398
C -1.947828 0.473700 -0.746817
C 4.744967 0.663304 -0.164820
C -4.285029 1.101261 -0.455904
C 6.865043 -1.124144 -0.398524
C 4.938365 -0.299415 0.829798
C 5.603238 0.757177 -1.279563
C -6.914176 0.683736 0.322299
C 6.010480 -1.188426 0.714372
C 6.657853 -0.137436 -1.393170
C -5.233026 2.133641 -0.641740
C -4.639731 -0.129824 0.110959
C -6.546957 1.919300 -0.255552
C -5.964500 -0.332579 0.505310
C -9.037178 -0.685490 0.499629
C 6.946372 -4.570353 -0.564813
C -9.099126 1.380794 1.432664
C -10.287244 -0.439687 1.067705
H 1.424987 3.247952 1.575864
H 0.854210 3.729251 -0.993034
H 1.683882 2.191677 -1.344145
H 2.262926 0.798660 1.076655
H 3.510857 1.864498 1.873466
H -0.752952 2.567860 0.330822
H -1.052782 1.933175 -2.080715
H -0.000631 0.530175 -1.709478
H -1.859000 0.183501 0.315340
H -2.186333 -0.401830 -1.373157
H 3.572905 3.862046 -0.182373
H 4.282944 -0.366434 1.693979
H 5.427524 1.525141 -2.030081
H 6.185425 -1.910934 1.521837
H 7.326801 -0.075970 -2.250306
H -4.915844 3.075165 -1.088381
H -3.911432 -0.922168 0.254855
H -7.296200 2.699402 -0.402960
H -6.254723 -1.281464 0.960019
H 8.734462 -1.679819 -1.121569
H -8.665841 -1.539728 -0.029559
H 6.097865 -4.025041 -1.005451
H 6.492178 -5.308958 0.115076
H 7.382307 -5.155184 -1.390060
H -8.772846 2.356206 1.755696
H -11.149615 -1.082230 1.100627


%chk=000208932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208932

0 1
S 6.010435 -4.208480 -0.433891
O 3.700122 2.110734 -0.302753
O 3.060134 4.828384 -0.408669
O -2.706824 1.811340 -0.949824
O 5.266373 -5.344039 0.483467
O 5.295687 -3.622452 -1.780413
N 0.073766 2.567476 -0.897174
N 6.696224 -2.562716 0.690243
N -7.517340 -0.154964 1.303806
N -9.338570 -0.263214 2.662773
C 2.044148 3.829543 -0.054157
C 1.218115 3.414218 -1.296115
C 2.679354 2.621806 0.644403
C -0.534197 1.775395 -1.984951
C -1.655355 0.894305 -1.441821
C 4.391393 0.943257 0.022267
C -3.865708 1.246294 -0.398851
C 5.891568 -1.419324 0.488103
C 4.205264 0.219327 1.230728
C 5.321064 0.488719 -0.951342
C -6.288623 0.313250 0.731437
C 4.934045 -0.963458 1.442671
C 6.063071 -0.675117 -0.720127
C -4.852200 2.168494 0.032560
C -4.093755 -0.145989 -0.263798
C -6.058649 1.705585 0.583549
C -5.299687 -0.603220 0.308664
C -8.237855 -1.304023 0.927998
C 7.709450 -4.902732 -0.941535
C -8.229317 0.434314 2.358301
C -9.351308 -1.348119 1.766963
H 1.387055 4.343901 0.671721
H 0.929605 4.343739 -1.837215
H 1.866403 2.825443 -1.972890
H 1.907740 1.850273 0.825522
H 3.178247 2.924003 1.584715
H -0.651738 3.103049 -0.399897
H -0.941555 2.400903 -2.815370
H 0.241902 1.115791 -2.419806
H -1.284859 0.271407 -0.603844
H -2.070165 0.247160 -2.240486
H 3.793491 4.350616 -0.877371
H 3.493783 0.559094 1.987895
H 5.439040 1.062464 -1.875240
H 4.772576 -1.540853 2.361643
H 6.786021 -1.029551 -1.459946
H -4.663749 3.238878 -0.092244
H -3.345015 -0.876908 -0.580804
H -6.833042 2.421381 0.877754
H -5.458599 -1.677828 0.446290
H 6.547914 -2.961252 1.643067
H -7.928143 -1.932341 0.097685
H 8.231602 -4.085632 -1.454783
H 7.498943 -5.755803 -1.601593
H 8.216522 -5.204496 -0.015542
H -7.877769 1.321967 2.877971
H -10.156134 -2.079201 1.780458


