%chk=000223193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223193

0 1
S 1.141088 -3.039458 -0.211939
O 1.367497 -3.774492 -1.449522
O 1.190570 -3.728895 1.068617
O -4.605218 0.238969 1.439035
O -9.127907 2.386763 1.431074
O -8.323376 2.772661 -0.623406
N 5.095643 1.419550 -0.001514
N -4.140905 -0.342662 -0.745955
C 4.147965 0.347626 -0.052414
C 2.289076 -1.733802 -0.151943
C 5.037128 2.624526 -0.761102
C 6.262657 1.467018 0.816023
C -0.392037 -2.243161 -0.344678
C 3.607911 -0.165640 1.142445
C 3.765534 -0.189901 -1.296520
C 2.686091 -1.210594 1.081710
C 2.840477 -1.233081 -1.334451
C 6.137916 3.391558 -0.412962
C 6.901918 2.670356 0.561268
C 3.942623 2.937209 -1.703232
C 6.666381 0.368752 1.717648
C -0.983610 -2.076354 -1.601460
C -1.060811 -1.800858 0.801036
C -2.877956 -0.981027 -0.564110
C -2.217861 -1.444413 -1.726310
C -2.295862 -1.162750 0.703450
C -6.239457 0.822829 -0.244102
C -4.943744 0.228022 0.275618
C -7.116743 1.285205 0.917755
C -8.194188 2.209819 0.438080
H 3.901550 0.255291 2.103763
H 4.207680 0.189161 -2.217480
H 2.279383 -1.626781 2.011399
H 2.561238 -1.672367 -2.299524
H 6.388407 4.359463 -0.796776
H 7.812487 3.015575 1.007026
H 3.799812 4.026368 -1.786660
H 4.163283 2.565093 -2.715324
H 2.976902 2.512611 -1.393661
H 7.760776 0.349259 1.843505
H 6.231513 0.488267 2.721658
H 6.373814 -0.623621 1.343752
H -0.477466 -2.456076 -2.498261
H -0.620478 -1.964369 1.791806
H -2.663276 -1.322194 -2.710120
H -2.807980 -0.814740 1.607750
H -4.479225 -0.302126 -1.711868
H -6.022640 1.685232 -0.919933
H -6.794748 0.093599 -0.872381
H -6.501076 1.799208 1.699751
H -7.557290 0.418691 1.462982
H -9.859669 3.008886 1.166758


%chk=000223193-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223193

0 1
S 1.109578 -2.934303 -0.016360
O 1.320821 -3.798276 -1.393459
O 1.153341 -3.590113 1.483938
O -4.972084 0.305179 1.542722
O -9.818372 1.852524 1.085574
O -8.514090 2.941824 -0.495928
N 5.411984 1.406050 -0.059346
N -4.335896 -0.265303 -0.644395
C 4.396112 0.395961 -0.049875
C 2.415917 -1.560922 -0.035199
C 5.328425 2.644283 -0.749667
C 6.658240 1.322901 0.616835
C -0.559971 -2.064466 -0.186455
C 3.837361 -0.037674 1.180315
C 3.960495 -0.180998 -1.271328
C 2.841292 -1.036701 1.195310
C 2.956838 -1.172258 -1.270787
C 6.517959 3.331514 -0.497719
C 7.349068 2.505383 0.342247
C 4.105956 3.083104 -1.508185
C 7.099169 0.107408 1.385383
C -1.107158 -1.933687 -1.473003
C -1.227770 -1.648708 0.975232
C -3.065204 -0.866890 -0.438867
C -2.369796 -1.325221 -1.593856
C -2.492278 -1.036326 0.853124
C -6.466376 0.914131 -0.312715
C -5.206899 0.287730 0.299653
C -7.611860 0.977099 0.710730
C -8.645383 2.019609 0.340572
H 4.174167 0.419993 2.114958
H 4.432128 0.127248 -2.209001
H 2.415661 -1.412179 2.131714
H 2.632883 -1.662445 -2.194699
H 6.753161 4.327344 -0.871163
H 8.350860 2.738584 0.700584
H 4.215992 4.146740 -1.777467
H 3.947173 2.520015 -2.447900
H 3.181949 2.981562 -0.907381
H 8.172718 0.202258 1.618555
H 6.564560 -0.022319 2.345930
H 6.961297 -0.826193 0.807655
H -0.570977 -2.325077 -2.343528
H -0.783269 -1.824627 1.960420
H -2.821248 -1.212541 -2.587368
H -3.042198 -0.697750 1.732340
H -4.647336 -0.218752 -1.618062
H -6.225411 1.946413 -0.636999
H -6.781575 0.368365 -1.222229
H -7.190878 1.235077 1.703012
H -8.110308 0.001249 0.842472
H -10.464973 2.572388 0.849965


