%chk=000260079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260079

0 1
S 1.681084 -1.189395 0.610895
S 4.029208 -2.927317 1.273906
O -4.585803 0.320890 -0.446870
O 3.862714 1.910775 0.007861
O -7.473694 -1.190905 0.943606
O -7.239558 -0.003459 -0.948481
N 4.119575 -0.320945 0.587052
C 1.898029 0.500626 0.194078
C 3.338621 0.845968 0.220579
C 5.608883 -0.237080 0.618425
C -0.508690 1.050146 -0.149252
C 0.922033 1.358688 -0.129024
C 3.431217 -1.493544 0.834453
C -1.284827 1.507146 -1.240355
C -1.125744 0.337570 0.888994
C -3.235073 0.508843 -0.247041
C -2.642023 1.236223 -1.303489
C -2.496714 0.062050 0.853045
C 6.210773 -0.739748 -0.666032
C -5.310181 -0.431405 0.558584
C 7.218404 -0.122026 -1.276587
C -6.729770 -0.466019 0.033538
H 5.994380 -0.840934 1.477893
H 5.884449 0.828951 0.815473
H 1.187099 2.390256 -0.420078
H -0.807944 2.068979 -2.046351
H -0.543005 0.005729 1.752755
H -3.259815 1.566681 -2.138783
H -2.952944 -0.488297 1.669588
H 5.776265 -1.665362 -1.051284
H -4.890383 -1.454176 0.644513
H -5.258232 0.091475 1.534783
H 7.673277 -0.494947 -2.184590
H 7.668288 0.797545 -0.928715
H -8.431299 -1.270486 0.682712


%chk=000260079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260079

0 1
S 1.919397 -1.209938 1.318674
S 4.580283 -2.427263 2.349749
O -4.722224 0.620104 -0.331933
O 3.808464 1.698777 -0.580490
O -7.610254 -1.251443 0.810970
O -7.487219 0.669086 -0.508672
N 4.298268 -0.190384 0.755614
C 1.994261 0.287783 0.278293
C 3.404054 0.702525 0.077475
C 5.768349 0.034163 0.652742
C -0.479452 0.821760 -0.236171
C 0.963595 1.005328 -0.280424
C 3.759393 -1.253362 1.464066
C -1.291145 1.769890 -0.940194
C -1.148565 -0.230870 0.456298
C -3.324751 0.619900 -0.255938
C -2.687038 1.677271 -0.954576
C -2.551519 -0.337562 0.451249
C 6.389144 -0.780503 -0.466833
C -5.433952 -0.439443 0.366299
C 6.974485 -0.228111 -1.556884
C -6.925106 -0.226753 0.139654
H 6.202409 -0.248226 1.628867
H 5.905629 1.113461 0.473384
H 1.317368 1.871222 -0.861626
H -0.802884 2.588847 -1.481059
H -0.578902 -0.983184 1.009627
H -3.307059 2.400595 -1.491396
H -3.023694 -1.160604 0.995618
H 6.356838 -1.871013 -0.339959
H -5.154933 -1.441172 -0.017736
H -5.233437 -0.416982 1.456366
H 7.432855 -0.849048 -2.334768
H 7.006816 0.858258 -1.703797
H -8.590872 -1.140613 0.683310


