%chk=000287754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287754

0 1
S -0.094722 -0.646423 0.271478
O 3.536685 2.083416 -1.742564
O -7.068487 0.055150 1.294505
O -7.117602 -1.186725 -0.476113
N 2.519033 -1.134110 0.541289
N 1.907227 0.780582 -0.783984
N -6.547161 -0.454626 0.316087
C 3.903868 -0.892813 0.334156
C 4.294630 0.214099 -0.452524
C -2.421744 0.377377 -0.381903
C -0.980869 0.668021 -0.625727
C 1.601740 -0.252856 -0.051165
C 4.866898 -1.750105 0.908748
C 5.666612 0.451638 -0.656598
C 3.280936 1.120663 -1.060342
C -3.074917 0.939945 0.729219
C -3.129954 -0.458798 -1.263359
C 6.214294 -1.487650 0.687871
C -5.116948 -0.165175 0.073399
C 6.618483 -0.389897 -0.092724
C -4.422782 0.672018 0.960774
C -4.478050 -0.732592 -1.040175
H -0.700479 0.660653 -1.703216
H -0.660462 1.670709 -0.262929
H 2.221990 -1.928319 1.106036
H 4.563638 -2.600906 1.513469
H 5.962754 1.311712 -1.267640
H -2.527701 1.589164 1.415370
H -2.625534 -0.897177 -2.126561
H 6.970911 -2.142112 1.125931
H 7.679253 -0.202823 -0.252895
H -4.944396 1.104618 1.822427
H -5.042243 -1.381857 -1.719740


%chk=000287754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287754

0 1
S 0.087328 -2.089316 -1.669578
O 2.279208 2.397530 -0.622441
O -4.930594 1.782730 2.298667
O -6.270631 0.093657 1.554209
N 2.431503 -1.691540 -0.368893
N 1.328445 0.306739 -1.084024
N -5.175256 0.778973 1.524007
C 3.521181 -0.987456 0.183978
C 3.506249 0.436281 0.102944
C -2.168392 -0.359214 -1.320950
C -1.113021 -0.745186 -2.326690
C 1.396750 -1.001128 -0.980159
C 4.598611 -1.668960 0.803523
C 4.589514 1.165710 0.653272
C 2.358351 1.140116 -0.546189
C -1.951614 0.746621 -0.453969
C -3.391945 -1.077324 -1.240569
C 5.662546 -0.921878 1.341388
C -4.135658 0.387162 0.540203
C 5.662830 0.497025 1.268172
C -2.933215 1.125786 0.481372
C -4.383286 -0.712468 -0.311131
H -1.528815 -1.204313 -3.237035
H -0.450422 0.098655 -2.578247
H 2.409262 -2.712615 -0.314669
H 4.601921 -2.763646 0.861926
H 4.553562 2.257570 0.580595
H -1.007043 1.295992 -0.522814
H -3.567031 -1.926985 -1.910507
H 6.497578 -1.443603 1.821046
H 6.497344 1.064761 1.691350
H -2.788287 1.974598 1.154628
H -5.332074 -1.249472 -0.232815


