%chk=000258667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258667

0 1
S -4.519853 0.421249 0.559670
O 2.279464 -2.141771 -0.002207
N -2.120264 0.577515 -0.421690
N 0.754852 0.271609 -0.354369
C -1.495993 -0.743193 -0.082521
C -1.234343 1.342157 -1.360356
C -0.127755 -0.505882 0.581776
C 0.127025 1.592540 -0.678530
C -3.485569 0.418021 -0.965044
C 2.125916 0.322497 0.077285
C 2.871670 -0.887177 0.146836
C 2.812918 1.518416 0.353852
C 4.228477 -0.897711 0.479521
C 4.173323 1.508279 0.678142
C -6.077551 -0.301772 -0.069748
C 4.882038 0.307846 0.749240
C -7.037602 -0.313964 1.101520
C 1.922401 -2.470791 -1.371789
H -1.377122 -1.403744 -0.968184
H -2.161261 -1.269130 0.639540
H -1.713426 2.321288 -1.577571
H -1.078867 0.820281 -2.329280
H -0.264257 0.020740 1.551965
H 0.357974 -1.487421 0.798771
H 0.789558 2.142779 -1.380943
H -0.021554 2.227657 0.223666
H -3.663882 -0.506168 -1.547232
H -3.778415 1.281451 -1.595738
H 2.290380 2.472390 0.331975
H 4.755045 -1.849742 0.528177
H 4.679546 2.450158 0.885177
H -6.468099 0.305882 -0.905190
H -5.896380 -1.321274 -0.453751
H 5.937766 0.306596 1.010722
H -6.661835 -0.917832 1.939735
H -7.228102 0.696185 1.491600
H -8.009143 -0.735483 0.810676
H 1.212718 -1.737884 -1.770714
H 1.461203 -3.457033 -1.258307
H 2.827399 -2.520966 -1.982082


%chk=000258667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258667

0 1
S -4.687960 0.804784 0.554380
O 1.988270 -2.187933 0.116615
N -2.101005 0.900490 -0.490060
N 0.729992 0.418422 -0.251683
C -1.607768 -0.406865 -0.012192
C -1.142031 1.553802 -1.407045
C -0.239539 -0.250918 0.665402
C 0.226451 1.726315 -0.721834
C -3.484720 0.901684 -0.936206
C 2.114210 0.307609 0.067988
C 2.727102 -0.978315 0.249928
C 2.957506 1.449340 0.193466
C 4.085079 -1.094573 0.601753
C 4.326601 1.326064 0.515479
C -5.852697 -0.563324 -0.065492
C 4.897091 0.054185 0.740678
C -6.853521 -0.913591 1.046037
C 1.578083 -2.491500 -1.271778
H -1.524397 -1.139822 -0.855298
H -2.336882 -0.800240 0.719419
H -1.533410 2.550113 -1.686182
H -0.996154 0.962934 -2.346600
H -0.364885 0.359181 1.587992
H 0.159706 -1.238220 0.944828
H 0.939555 2.146389 -1.453658
H 0.116431 2.449795 0.119887
H -3.758099 0.038595 -1.589850
H -3.691624 1.839584 -1.477129
H 2.532220 2.449968 0.070169
H 4.489609 -2.102380 0.743549
H 4.939762 2.229457 0.609545
H -6.374839 -0.197458 -0.966243
H -5.235569 -1.438472 -0.337483
H 5.954008 -0.046160 1.008448
H -6.333436 -1.275609 1.950645
H -7.460495 -0.034762 1.328023
H -7.542240 -1.708141 0.703369
H 0.954319 -1.676556 -1.683774
H 1.001871 -3.428052 -1.212465
H 2.471805 -2.639219 -1.908028


