%chk=000231617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231617

0 1
S -2.334506 -0.535531 -1.430354
O 0.759506 2.912685 0.727133
O -1.618259 -0.988131 1.618170
O 0.196591 3.116198 -1.462289
O -2.697164 0.212967 3.185289
O 0.769901 -0.985774 1.207414
N -2.879453 1.476676 0.243460
N 0.403318 0.096106 -0.780158
C -1.889807 1.138163 -0.792042
C -3.489205 0.260432 0.852408
C -0.467115 1.114245 -0.179334
C -3.608271 -0.871499 -0.171862
C 0.187638 2.486040 -0.430096
C -2.590460 -0.135655 2.036975
C 0.906294 -0.960477 -0.005669
C 1.670963 -1.981709 -0.788068
C 1.465894 4.199067 0.725983
C 3.019165 -2.202096 -0.476276
C 1.038167 -2.732521 -1.786975
C 2.813979 4.043864 0.056849
C 3.740442 -3.169230 -1.181746
C 1.764838 -3.701408 -2.484585
C 3.114469 -3.916850 -2.185041
H -1.927844 1.859078 -1.652361
H -4.493809 0.526996 1.282054
H -0.520093 0.936678 0.943217
H -3.607448 2.104411 -0.117888
H -4.602311 -0.900743 -0.651437
H -3.419465 -1.869695 0.272519
H 0.488090 0.095720 -1.795388
H -0.885039 -1.167174 2.291333
H 1.533655 4.389827 1.813448
H 0.824050 4.948527 0.231069
H 3.496655 -1.625979 0.318035
H -0.017920 -2.571733 -2.010541
H 2.705551 3.864576 -1.023487
H 3.374055 3.195112 0.471793
H 3.429692 4.942607 0.181547
H 4.789398 -3.343440 -0.945449
H 1.277827 -4.290515 -3.260518
H 3.678731 -4.671816 -2.732136


%chk=000231617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231617

0 1
S -2.532133 -0.669315 -1.227236
O 0.287857 3.229225 0.414997
O -1.687527 -1.325917 1.890407
O 0.903563 2.483820 -1.711449
O -1.656263 0.666731 3.098359
O 0.740439 -1.394856 1.118451
N -2.689785 1.541168 0.402483
N 0.465816 -0.107586 -0.813922
C -1.823126 1.066752 -0.653537
C -3.236870 0.424057 1.218935
C -0.302186 0.969816 -0.192784
C -3.727262 -0.687254 0.244838
C 0.376506 2.290706 -0.584698
C -2.125193 -0.056742 2.191881
C 0.919905 -1.220100 -0.140227
C 1.687096 -2.224161 -0.949170
C 0.886113 4.580887 0.141893
C 2.599443 -3.067056 -0.264426
C 1.505792 -2.378855 -2.349005
C 2.368103 4.588633 0.521743
C 3.344314 -4.030985 -0.973860
C 2.248084 -3.349606 -3.055525
C 3.174206 -4.171458 -2.371909
H -1.891800 1.725508 -1.535745
H -4.066064 0.820562 1.831557
H -0.266420 0.853320 0.899865
H -3.411656 2.198319 0.090911
H -4.742886 -0.469287 -0.124859
H -3.672905 -1.682876 0.706085
H 0.786785 0.065180 -1.771263
H -0.669052 -1.439403 1.924184
H 0.288097 5.252603 0.776938
H 0.736881 4.820327 -0.925560
H 2.703087 -2.950859 0.819035
H 0.755619 -1.784542 -2.883937
H 2.946966 3.915262 -0.132354
H 2.505634 4.275999 1.570726
H 2.773660 5.611123 0.409225
H 4.052878 -4.673733 -0.440573
H 2.095203 -3.473725 -4.132913
H 3.749781 -4.923682 -2.922562


