%chk=000210468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210468

0 1
S 7.464847 -0.245541 -1.721606
O -4.746682 0.802402 2.376973
O 4.738330 0.589377 -2.383463
N -1.568614 0.268435 0.792077
N 1.080409 -0.083108 -0.342395
C -1.333660 -0.660238 -0.361747
C -0.342141 0.324991 1.653213
C -0.148863 -0.142737 -1.201107
C 0.842282 0.843987 0.812791
C -2.772970 -0.138816 1.579105
C 2.273078 0.343711 -1.142545
C -3.929067 0.808112 1.175365
C 3.530423 -0.255253 -0.490058
C -4.717085 0.293428 -0.008843
C 4.761513 -0.011945 -1.328316
C -4.439550 0.780191 -1.293797
C -5.714078 -0.675895 0.168733
C -5.747138 1.836373 2.415339
C 6.027661 -0.543525 -0.804495
C -5.155232 0.296836 -2.392976
C -6.429561 -1.154215 -0.931536
C -6.150479 -0.669354 -2.213837
C 6.318659 -1.269884 0.320923
C 7.716435 -1.582287 0.436895
C 8.465206 -1.091454 -0.598051
H -2.252158 -0.676926 -0.988824
H -1.133316 -1.705604 -0.039481
H -0.081491 -0.659861 2.098266
H -0.534882 1.031292 2.488885
H -0.409299 0.840665 -1.649753
H 0.042714 -0.850833 -2.035721
H 1.757086 0.862643 1.441455
H 0.639878 1.889386 0.490564
H -3.070093 -1.197409 1.431910
H -2.611240 -0.024283 2.675599
H 2.190306 -0.041022 -2.184509
H 2.380206 1.446040 -1.235435
H -3.555432 1.842811 1.000985
H 3.378968 -1.347371 -0.337432
H 3.674202 0.157060 0.529053
H -3.662172 1.530650 -1.435747
H -5.926451 -1.041996 1.174701
H -6.446675 1.726906 1.580648
H -6.249191 1.650102 3.372041
H -5.275602 2.823225 2.409044
H -4.938158 0.675358 -3.390061
H -7.204440 -1.905358 -0.790507
H -6.707501 -1.042886 -3.070487
H 5.595120 -1.589640 1.059417
H 8.109968 -2.150440 1.268862
H 9.528629 -1.187299 -0.745717


%chk=000210468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210468

0 1
S 7.346205 -0.529934 -2.151283
O -4.977742 0.670364 2.511976
O 4.383881 -0.273757 -2.804827
N -1.626326 0.047989 0.990153
N 0.924885 -0.479318 -0.293237
C -1.485352 -1.027594 -0.020063
C -0.349971 0.261488 1.709447
C -0.361263 -0.687866 -1.010331
C 0.772302 0.601436 0.713078
C -2.810304 -0.095012 1.865754
C 2.046619 -0.242494 -1.235149
C -3.973072 0.843052 1.444537
C 3.413967 -0.447724 -0.558129
C -4.542541 0.533002 0.064047
C 4.574784 -0.417521 -1.557546
C -4.169189 1.306260 -1.061855
C -5.429304 -0.560124 -0.114048
C -6.055050 1.660992 2.455604
C 5.935229 -0.571372 -1.011884
C -4.662576 0.988146 -2.348419
C -5.928837 -0.875878 -1.396598
C -5.544161 -0.104202 -2.519666
C 6.364674 -0.761569 0.304561
C 7.788859 -0.875340 0.439666
C 8.456891 -0.771626 -0.776183
H -2.436504 -1.131636 -0.569574
H -1.254331 -2.009587 0.465084
H -0.043517 -0.642584 2.294550
H -0.473899 1.102232 2.417144
H -0.660074 0.221485 -1.590805
H -0.234166 -1.523348 -1.723613
H 1.719296 0.721453 1.270795
H 0.533574 1.579868 0.221857
H -3.189753 -1.140078 1.890846
H -2.547405 0.175472 2.905431
H 1.957690 -0.963887 -2.066700
H 2.004385 0.774750 -1.696990
H -3.587438 1.887086 1.456029
H 3.406016 -1.423823 -0.032924
H 3.598415 0.320287 0.218486
H -3.481924 2.150489 -0.930670
H -5.731166 -1.144974 0.762900
H -6.641583 1.577033 1.518921
H -6.706052 1.451234 3.319310
H -5.653981 2.693576 2.536841
H -4.363407 1.591645 -3.213107
H -6.616333 -1.720254 -1.523023
H -5.930855 -0.349230 -3.515422
H 5.674788 -0.821631 1.149919
H 8.299688 -1.027540 1.393156
H 9.528633 -0.820634 -0.963647


