%chk=000266975.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266975

0 1
S -4.806167 -0.893667 0.376629
O -5.390365 -1.945845 -0.431677
O -5.152454 -0.742663 1.775821
N -5.213675 0.598731 -0.393188
C -3.076856 -1.009842 0.251820
C -0.288501 -1.194269 0.048464
C 2.059375 -0.320807 0.052405
C 1.172044 -1.323929 -0.064993
C -2.265271 -0.471344 1.254139
C -2.497083 -1.662788 -0.839825
C -0.875768 -0.554078 1.153581
C -1.109170 -1.755492 -0.947472
C 1.680297 1.093500 0.286371
C 3.516390 -0.576476 -0.064785
C -4.764115 1.820619 0.311101
C -5.010271 0.633780 -1.858933
C 0.880357 1.774856 -0.644003
C 4.125764 -1.567386 0.720965
C 2.135515 1.757142 1.436597
C 4.290286 0.175079 -0.963683
C 0.538237 3.111279 -0.421527
C 5.497813 -1.805170 0.603274
C 1.783912 3.091292 1.655515
C 5.660150 -0.071715 -1.080049
C 0.986818 3.770115 0.727679
C 6.265789 -1.060798 -0.297637
H 1.515570 -2.345258 -0.266774
H -2.718061 0.007617 2.129596
H -3.133161 -2.117059 -1.608051
H -0.242773 -0.125602 1.930636
H -0.660992 -2.264952 -1.798818
H -5.052214 1.752043 1.379042
H -5.292779 2.699600 -0.098796
H -3.681645 2.012545 0.241165
H -5.468063 -0.268280 -2.311756
H -3.955428 0.697376 -2.169137
H -5.543574 1.502009 -2.285538
H 0.526912 1.259350 -1.535744
H 3.531129 -2.146705 1.425735
H 2.765061 1.231296 2.153625
H 3.820219 0.950308 -1.568225
H -0.078570 3.640548 -1.145967
H 5.968981 -2.573007 1.215271
H 2.134924 3.604522 2.549773
H 6.257993 0.509386 -1.780802
H 0.718158 4.810882 0.899300
H 7.333963 -1.249643 -0.389223


%chk=000266975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266975

0 1
S -4.949448 -0.934475 0.605200
O -5.506931 -2.356961 0.047103
O -5.233583 -0.384515 2.109310
N -5.713490 0.373310 -0.545474
C -3.073367 -0.934378 0.350355
C -0.284158 -0.934741 -0.022685
C 2.176319 -0.125476 0.030476
C 1.171796 -1.035282 -0.235002
C -2.286163 -0.079610 1.144191
C -2.527519 -1.813480 -0.600688
C -0.891362 -0.083088 0.951311
C -1.129029 -1.809808 -0.771780
C 1.915604 1.306193 0.389341
C 3.604013 -0.548642 -0.095233
C -5.281921 1.733788 -0.152671
C -5.488560 0.015088 -1.964146
C 1.096948 2.121804 -0.438634
C 4.006217 -1.884321 0.197885
C 2.512922 1.888772 1.540324
C 4.602976 0.375212 -0.515916
C 0.865217 3.475581 -0.113978
C 5.349576 -2.286427 0.049136
C 2.271662 3.240095 1.872427
C 5.946398 -0.027919 -0.666517
C 1.446019 4.039069 1.046961
C 6.326967 -1.361504 -0.388394
H 1.488025 -1.995917 -0.666156
H -2.753142 0.539111 1.917508
H -3.175547 -2.499577 -1.155621
H -0.266196 0.558143 1.577403
H -0.676139 -2.496468 -1.496734
H -5.374969 1.834203 0.941510
H -5.982904 2.448572 -0.621122
H -4.246278 1.992286 -0.471011
H -5.727848 -1.052256 -2.103946
H -4.456429 0.224050 -2.327176
H -6.200655 0.605366 -2.569220
H 0.652522 1.688034 -1.341064
H 3.267137 -2.598862 0.577349
H 3.159692 1.275441 2.177757
H 4.317731 1.408551 -0.740388
H 0.237665 4.091907 -0.767478
H 5.638286 -3.315921 0.288921
H 2.729445 3.669292 2.770550
H 6.696013 0.696926 -1.002948
H 1.263877 5.089246 1.300697
H 7.371310 -1.673311 -0.499833


