%chk=000276418.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276418

0 1
S -3.745264 0.535674 0.862710
O -1.131611 1.152935 -1.367163
O 0.129217 3.208698 0.405675
O -2.066971 0.693346 1.139150
O -4.053936 1.588445 -0.081651
O -4.369248 0.560770 2.159474
O 7.192732 -1.647298 0.833895
N 1.520540 1.443010 -0.333373
N 1.967918 -0.639431 0.539494
N 3.889799 2.219649 -0.657306
N 5.520964 0.532381 0.044442
N 4.862394 -1.614864 0.945783
C -1.651458 2.473947 -0.997827
C -0.347621 2.325623 -1.748567
C -1.310858 2.931621 0.418932
C 0.780844 2.642718 -0.750709
C -1.580379 1.956607 1.577967
C 2.919307 1.330975 -0.274299
C 0.998698 0.207088 0.190106
C 3.182585 0.022681 0.265150
C 4.550931 -0.351366 0.416064
C -3.758417 -1.014927 0.162151
C 5.152293 1.755070 -0.467533
C -4.384390 -2.079108 0.829830
C -3.135706 -1.238464 -1.073753
C -4.400839 -3.349480 0.262236
C -3.148531 -2.510105 -1.644960
C -3.781896 -3.575851 -0.982809
C 6.162652 -2.186010 1.137502
C -3.790828 -4.941522 -1.579045
H -2.635659 2.706630 -1.412835
H -0.180951 2.456527 -2.811516
H -1.751185 3.935220 0.629286
H 1.496966 3.436525 -1.089553
H -2.265886 2.394686 2.328521
H -0.618545 1.703013 2.083641
H -0.083127 0.044008 0.251522
H 5.985286 2.422528 -0.751087
H 4.038739 -2.174772 1.215207
H -4.862351 -1.909768 1.802967
H -2.628959 -0.414272 -1.596469
H -4.888967 -4.171711 0.783572
H -2.659781 -2.675913 -2.604322
H 6.077885 -3.187256 1.597704
H -3.515729 -4.948383 -2.643098
H -3.074378 -5.599651 -1.060671
H -4.777779 -5.421321 -1.501036


%chk=000276418-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276418

0 1
S -4.263262 0.710084 0.520102
O -1.175481 1.443021 -1.248387
O -0.073448 2.760400 1.013082
O -2.639129 1.121806 1.405504
O -4.390707 1.753223 -0.718688
O -5.452760 0.663026 1.615565
O 7.140726 -2.251861 0.046147
N 1.528912 1.321765 0.021364
N 1.979588 -0.864913 0.547658
N 3.831249 2.075539 -0.553031
N 5.475057 0.253900 -0.320385
N 4.798877 -1.964475 0.395267
C -1.537374 2.867693 -0.888469
C -0.158564 2.548854 -1.376375
C -1.438445 3.189562 0.599749
C 0.786741 2.565167 -0.170932
C -2.452419 2.572876 1.572734
C 2.909008 1.160745 -0.152556
C 1.023403 0.077714 0.445972
C 3.163063 -0.199713 0.172152
C 4.514002 -0.630376 0.073169
C -3.829754 -1.029015 -0.014064
C 5.089988 1.538754 -0.607219
C -4.477449 -2.077735 0.660330
C -2.909656 -1.212194 -1.057922
C -4.180832 -3.393420 0.247947
C -2.634507 -2.542502 -1.445102
C -3.256816 -3.645657 -0.802241
C 6.014070 -2.674996 0.378156
C -2.929369 -5.068893 -1.211312
H -2.326698 3.311634 -1.498405
H 0.217996 2.750643 -2.382060
H -1.506967 4.295680 0.705717
H 1.535024 3.375827 -0.262475
H -3.416051 3.112569 1.480620
H -2.075959 2.698878 2.603993
H -0.030602 -0.052212 0.678836
H 5.892150 2.213896 -0.917467
H 3.969867 -2.493719 0.693114
H -5.188790 -1.868649 1.465385
H -2.418620 -0.362084 -1.541314
H -4.672641 -4.234094 0.750231
H -1.918665 -2.722156 -2.254664
H 5.833235 -3.724161 0.716538
H -2.424683 -5.105568 -2.191183
H -2.255837 -5.543255 -0.472066
H -3.838970 -5.692705 -1.269616


