%chk=000294803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294803

0 1
S 2.436342 -0.619259 -1.787879
O 3.579804 0.212193 -1.448892
O 2.249150 -0.983730 -3.177170
O -4.550867 1.575999 -0.371683
O -1.409933 -1.605178 -0.096467
O -3.464910 0.942661 1.507701
N 0.993890 0.263921 -1.377381
C -1.049742 0.884982 -2.701534
C -2.002371 1.462719 -1.648469
C 0.435325 1.172142 -2.423462
C -2.563973 0.379429 -0.710423
C 0.828532 0.713024 -0.016561
C -0.370496 0.402544 0.655902
C -1.424789 -0.399503 -0.030463
C -3.515359 0.975955 0.299972
C 2.402742 -1.980627 -0.750075
C 1.841126 1.423926 0.650421
C -0.552123 0.812521 1.981930
C 1.651337 1.817423 1.975516
C 0.456702 1.518672 2.640557
C 1.270313 -2.799530 -0.656768
C 3.544297 -2.288040 0.005097
C 1.281389 -3.920658 0.173339
C 3.561739 -3.406688 0.834399
C 2.426907 -4.234036 0.923788
C -5.597954 2.230003 0.418671
C 2.428453 -5.433091 1.811005
C -5.105621 3.573451 0.911693
H -1.196216 -0.209920 -2.813495
H -1.302775 1.307029 -3.695830
H -1.494324 2.247830 -1.051961
H -2.856317 1.969519 -2.146687
H 1.003468 1.014761 -3.375334
H 0.578714 2.238175 -2.138628
H -3.152312 -0.358671 -1.328367
H 2.780820 1.656615 0.134230
H -1.493075 0.582764 2.495801
H 2.440306 2.364425 2.492933
H 0.312281 1.833839 3.672543
H 0.358730 -2.559723 -1.219333
H 4.428775 -1.641293 -0.054165
H 0.390593 -4.543493 0.246455
H 4.452508 -3.637760 1.414733
H -6.402825 2.306798 -0.335440
H -5.889992 1.553425 1.241592
H 3.393838 -5.602616 2.305888
H 1.671423 -5.338999 2.605281
H 2.189154 -6.348846 1.249421
H -5.913827 4.149380 1.378844
H -4.310149 3.455563 1.663153
H -4.693609 4.179375 0.094603


%chk=000294803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294803

0 1
S 2.458891 -0.691191 -1.926631
O 3.899998 0.027682 -1.633790
O 2.091776 -1.093917 -3.461195
O -4.600913 1.204041 -0.335523
O -1.395388 -1.453648 0.470182
O -3.301450 1.123564 1.600382
N 0.911141 0.346695 -1.384822
C -0.962809 1.367149 -2.685534
C -1.841977 1.736418 -1.460987
C 0.564544 1.332987 -2.448790
C -2.314991 0.518017 -0.606962
C 1.010565 0.847934 -0.028545
C -0.095451 0.559745 0.812826
C -1.248652 -0.227614 0.232011
C -3.418719 0.970561 0.361884
C 2.311665 -2.153287 -0.759608
C 2.113913 1.587929 0.466310
C -0.098742 1.006589 2.153118
C 2.110612 2.018447 1.811866
C 1.009024 1.729941 2.651384
C 1.161214 -2.956650 -0.813904
C 3.392519 -2.399246 0.100573
C 1.096321 -4.061355 0.058909
C 3.303893 -3.518776 0.957814
C 2.161092 -4.359886 0.951820
C -5.768079 1.701348 0.465010
C 2.063010 -5.549715 1.888392
C -5.719208 3.224492 0.606101
H -1.278893 0.388161 -3.093076
H -1.137152 2.117412 -3.482853
H -1.319988 2.469549 -0.815702
H -2.760759 2.230615 -1.826649
H 1.047917 1.000798 -3.388212
H 0.943997 2.343169 -2.190997
H -2.771738 -0.230567 -1.281791
H 2.969139 1.788635 -0.187011
H -0.969229 0.800424 2.782550
H 2.967345 2.577465 2.203808
H 1.009716 2.069133 3.692914
H 0.336047 -2.720132 -1.490463
H 4.265400 -1.738661 0.091948
H 0.198391 -4.689115 0.055080
H 4.132719 -3.736953 1.640513
H -6.638723 1.364181 -0.119205
H -5.750652 1.202748 1.449799
H 2.985078 -5.680627 2.479282
H 1.222012 -5.426635 2.596284
H 1.881217 -6.485994 1.329043
H -6.631016 3.578018 1.122238
H -4.845569 3.537214 1.202196
H -5.673957 3.712310 -0.382984


