%chk=000268538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268538

0 1
S -0.576892 1.392238 0.466996
O -0.867119 2.764847 0.107312
O 0.112278 1.106917 1.709008
O 3.236865 1.137860 1.208401
O 2.992083 3.301926 0.673999
N 0.373445 0.787899 -0.850354
C 1.321924 1.704579 -1.528870
C 0.724578 -0.613708 -0.868568
C -2.007941 0.431821 0.372586
C 2.783909 1.578395 -1.059401
C 0.414076 -1.362340 -2.016745
C 1.340246 -1.224271 0.238202
C -2.101267 -0.760322 1.098538
C -3.078125 0.859534 -0.420074
C 2.990302 2.151723 0.311047
C 0.708313 -2.727694 -2.042900
C 1.622701 -2.590009 0.196716
C -3.265118 -1.531018 1.025885
C -4.242656 0.089548 -0.493146
C 1.307606 -3.343713 -0.939608
C -4.333851 -1.105636 0.228854
H 1.285856 1.486811 -2.622909
H 0.960364 2.757242 -1.397802
H 3.448627 2.112598 -1.772940
H 3.107255 0.511403 -1.081394
H -0.057009 -0.880099 -2.871237
H 1.610369 -0.624905 1.118424
H -1.266911 -1.088556 1.728947
H -3.009569 1.801176 -0.976568
H 0.467535 -3.314355 -2.928637
H 2.099086 -3.067799 1.052624
H -3.339263 -2.459599 1.590018
H -5.077392 0.421722 -1.108614
H 1.532785 -4.407976 -0.966188
H -5.242316 -1.706955 0.171980
H 3.263725 1.459114 2.152118


%chk=000268538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268538

0 1
S -0.476789 1.319061 0.560294
O -0.752646 2.890223 0.230833
O 0.181388 0.880878 1.993103
O 3.191249 1.318708 1.372360
O 2.846895 3.519188 0.703883
N 0.469215 0.688930 -0.993830
C 1.414772 1.697896 -1.527005
C 0.807905 -0.713385 -0.949021
C -2.083835 0.351517 0.373061
C 2.881840 1.724230 -0.987524
C 0.165785 -1.553914 -1.897059
C 1.717334 -1.271324 -0.008145
C -2.267528 -0.779701 1.182657
C -3.041558 0.840977 -0.529545
C 2.974040 2.313276 0.406146
C 0.454293 -2.935029 -1.930956
C 1.984037 -2.658401 -0.038031
C -3.494185 -1.474447 1.063137
C -4.261707 0.134057 -0.630891
C 1.362745 -3.490409 -0.998628
C -4.482811 -1.020246 0.158999
H 1.461742 1.505281 -2.616348
H 0.944245 2.689313 -1.383597
H 3.451854 2.385600 -1.665009
H 3.327135 0.717456 -1.016466
H -0.548951 -1.104215 -2.594012
H 2.195911 -0.625585 0.735083
H -1.488435 -1.087875 1.887113
H -2.847854 1.748143 -1.110451
H -0.035271 -3.576237 -2.672211
H 2.680915 -3.088772 0.689826
H -3.674721 -2.362625 1.677318
H -5.036695 0.487002 -1.319158
H 1.580211 -4.564228 -1.018015
H -5.431890 -1.560908 0.075583
H 3.069864 1.703962 2.282204


