%chk=000260840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260840

0 1
S 0.172541 -2.010120 -0.498079
O -3.396636 -0.361977 -0.354880
O 0.545219 -2.197049 -1.878496
O -0.100361 -3.186328 0.315615
O 3.812980 2.965272 0.733901
O 2.255436 2.834598 -0.762717
N -1.179665 -0.987813 -0.429086
N 2.924813 2.371283 0.145281
C -4.334185 1.798392 -0.316952
C -2.988269 1.058382 -0.371009
C -4.869748 1.855129 1.115786
C -4.164232 3.201481 -0.905102
C 1.378518 -1.053335 0.315335
C -2.436245 -1.317480 -0.402859
C 1.651492 0.245559 -0.108578
C 2.069634 -1.608538 1.397916
C 2.633120 0.987114 0.570558
C -3.075969 -2.662492 -0.410478
C 3.053796 -0.866039 2.062665
C 3.341906 0.435011 1.652877
H -5.065192 1.224860 -0.946137
H -2.424368 1.233541 -1.302072
H -2.339294 1.239127 0.499563
H -5.869590 2.302185 1.149004
H -4.225938 2.449536 1.773107
H -4.944289 0.848587 1.546086
H -5.107785 3.759436 -0.866623
H -3.850900 3.169287 -1.954928
H -3.421222 3.790659 -0.355094
H 1.115252 0.700967 -0.955407
H 1.837260 -2.630953 1.730938
H -2.491762 -3.393431 0.186577
H -4.100374 -2.644025 -0.005877
H -3.144748 -3.069737 -1.432990
H 3.594379 -1.306127 2.902123
H 4.108626 1.033537 2.160432


%chk=000260840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260840

0 1
S 0.072879 -1.989526 -0.115781
O -3.526011 -0.258598 -0.530520
O 0.427802 -2.422428 -1.647576
O -0.194984 -3.127238 1.023375
O 5.046350 2.130635 -0.391389
O 3.784410 1.355051 -2.127108
N -1.298887 -0.687856 -0.086466
N 4.084111 1.420683 -0.875550
C -4.597603 1.905744 -0.158570
C -3.268994 1.146396 -0.066996
C -5.664157 1.304320 0.784287
C -4.341385 3.399895 0.155560
C 1.464568 -0.880831 0.511416
C -2.470368 -1.138868 -0.517348
C 2.208143 -0.161548 -0.430513
C 1.720217 -0.866229 1.892045
C 3.262120 0.626081 0.079155
C -2.848136 -2.510700 -1.019045
C 2.788441 -0.066187 2.361841
C 3.563198 0.689677 1.457350
H -4.959649 1.822493 -1.203017
H -2.487478 1.580282 -0.717334
H -2.881432 1.102822 0.968402
H -6.625950 1.837036 0.673647
H -5.347720 1.393962 1.841625
H -5.834498 0.236203 0.564887
H -5.281788 3.973644 0.076996
H -3.611262 3.848439 -0.543536
H -3.955581 3.529664 1.184884
H 2.005548 -0.215299 -1.504344
H 1.114118 -1.479199 2.567114
H -2.609254 -3.272739 -0.255929
H -3.921486 -2.540838 -1.255077
H -2.259779 -2.757254 -1.920766
H 3.014842 -0.035259 3.431694
H 4.393852 1.316069 1.792985


