%chk=000262973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262973

0 1
S 1.812100 1.651856 -0.346761
O 5.710971 -2.673849 1.218415
O 1.980812 0.901548 -1.574515
O 2.968855 2.267973 0.270383
O -4.264206 -2.598839 1.438504
O -4.333177 -2.390808 -0.811551
N 1.204744 0.564852 0.871624
C 4.533350 -2.486754 0.363763
C 3.811682 -1.169189 0.507080
C 5.917113 -2.543442 -0.223926
C 2.807015 -1.217266 1.663393
C 2.155968 0.145497 1.942997
C 0.013925 -0.187641 0.707519
C 0.544840 2.792388 -0.526643
C -0.669145 -0.682204 1.845368
C -0.529435 -0.408509 -0.578794
C -0.245699 2.792601 -1.684381
C 0.308926 3.744240 0.473337
C -1.885812 -1.335571 1.697872
C -1.749944 -1.060042 -0.712784
C -2.444034 -1.519198 0.420872
C -1.269835 3.724021 -1.836179
C -0.715043 4.679387 0.328242
C -1.515549 4.674581 -0.827494
C -2.618931 5.662724 -0.993673
C -3.739165 -2.193336 0.226856
C -5.536842 -3.318921 1.420124
C -5.304910 -4.760874 1.018708
H 3.896731 -3.376929 0.320054
H 3.299883 -0.930429 -0.452709
H 4.538921 -0.344498 0.672278
H 6.281050 -3.446420 -0.706816
H 6.436044 -1.634966 -0.520256
H 2.027259 -1.978216 1.459098
H 3.327916 -1.558643 2.583750
H 2.939866 0.936652 2.054539
H 1.612239 0.109354 2.915417
H -0.248195 -0.538129 2.838883
H 0.020964 -0.126368 -1.481046
H -0.054900 2.060080 -2.478541
H 0.932792 3.762945 1.373270
H -2.422453 -1.709911 2.575450
H -2.177383 -1.230972 -1.706582
H -1.882718 3.716262 -2.736467
H -0.892360 5.414340 1.111714
H -3.598487 5.160944 -1.042712
H -2.674619 6.391331 -0.173343
H -2.509525 6.238308 -1.925793
H -6.228951 -2.794332 0.737206
H -5.855118 -3.203534 2.471934
H -6.211222 -5.364134 1.143044
H -4.507688 -5.222436 1.615065
H -5.001621 -4.832723 -0.037192


%chk=000262973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262973

0 1
S 1.871395 1.756275 -0.453586
O 5.469791 -2.958074 1.339335
O 2.042151 1.002480 -1.890488
O 3.163193 2.478510 0.221249
O -4.140623 -2.844624 1.501774
O -4.301022 -2.396479 -0.786933
N 1.252207 0.618592 0.917427
C 4.274703 -2.692189 0.436843
C 3.681694 -1.301535 0.522077
C 5.620296 -2.948379 -0.165043
C 2.881254 -1.103314 1.829515
C 2.263531 0.306622 1.951954
C 0.068904 -0.131686 0.730000
C 0.463509 2.997040 -0.611771
C -0.536073 -0.754419 1.868051
C -0.569960 -0.269195 -0.539424
C -0.197803 3.087162 -1.846208
C 0.187195 3.830466 0.482104
C -1.744787 -1.455562 1.740421
C -1.783947 -0.965212 -0.649538
C -2.393831 -1.562973 0.482650
C -1.212217 4.059257 -1.973810
C -0.836009 4.792176 0.327818
C -1.549313 4.918779 -0.893570
C -2.651587 5.949530 -1.049626
C -3.676249 -2.286506 0.300643
C -5.417687 -3.613021 1.419484
C -5.157247 -5.061942 0.995894
H 3.553754 -3.523414 0.446824
H 3.031028 -1.135495 -0.361223
H 4.494607 -0.552328 0.466217
H 5.841916 -3.925047 -0.612898
H 6.194006 -2.100454 -0.561017
H 2.087050 -1.871571 1.908715
H 3.561557 -1.253653 2.690396
H 3.051687 1.078793 1.866241
H 1.793062 0.446531 2.944951
H -0.064952 -0.672578 2.851374
H -0.088707 0.114796 -1.442524
H 0.081355 2.429081 -2.675095
H 0.745478 3.740546 1.418947
H -2.203274 -1.921856 2.617048
H -2.272322 -1.074664 -1.623599
H -1.747630 4.151308 -2.925656
H -1.078720 5.453590 1.166708
H -3.631359 5.460662 -1.206306
H -2.736308 6.594567 -0.159330
H -2.469880 6.599534 -1.925041
H -6.089461 -3.104047 0.705946
H -5.825988 -3.547854 2.441062
H -6.101933 -5.636224 1.029155
H -4.434138 -5.546788 1.674411
H -4.765296 -5.102410 -0.033945


