%chk=000186420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186420

0 1
S -1.265179 1.039864 -1.169373
O -0.033874 -3.744293 -1.472106
O -2.505494 0.936807 -1.927185
O -0.344819 2.118829 -1.469950
N -0.456128 -0.468203 -1.368202
C -1.055197 -2.802571 -1.003473
C -1.274240 -1.590864 -1.894754
C -1.432290 -4.174802 -1.486428
C 0.985312 -0.535882 -1.768888
C 1.835817 -0.049023 -0.607140
C 1.274879 0.203073 -3.078236
C -1.673122 1.053469 0.513338
C 2.226418 -0.977818 0.370684
C 2.254571 1.283277 -0.488447
C -3.017709 0.929134 0.884196
C -0.687779 1.199488 1.492161
C 3.028503 -0.584655 1.442688
C 3.060104 1.679265 0.580939
C 3.456461 0.748164 1.553515
C -3.375533 0.945168 2.234176
C -1.044459 1.214810 2.845646
C -2.386446 1.087476 3.215171
C 4.336543 1.168406 2.685762
H -0.987865 -2.594001 0.070293
H -2.360841 -1.325091 -1.908110
H -1.010798 -1.834539 -2.951521
H -1.662343 -4.969080 -0.780163
H -1.841183 -4.329240 -2.481887
H 1.226337 -1.630415 -1.935080
H 2.332838 0.111735 -3.350700
H 0.684352 -0.195361 -3.909272
H 1.055611 1.282303 -3.010560
H 1.900836 -2.016561 0.292330
H 1.928307 2.025555 -1.226999
H -3.792000 0.825762 0.113942
H 0.367288 1.304135 1.212681
H 3.327895 -1.316779 2.189089
H 3.382449 2.715968 0.654294
H -4.421110 0.851132 2.522274
H -0.274127 1.327423 3.607051
H -2.665008 1.100775 4.269400
H 5.396186 1.099549 2.395724
H 4.153649 2.206772 2.992304
H 4.204587 0.540339 3.576114


%chk=000186420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186420

0 1
S -1.412941 0.924578 -1.111564
O 0.012754 -3.873637 -1.865063
O -2.933615 0.681626 -1.676056
O -0.518692 2.178882 -1.654606
N -0.519279 -0.794950 -1.299038
C -1.261055 -3.095722 -1.578978
C -1.324885 -1.698332 -2.164840
C -1.307199 -4.304949 -2.460830
C 0.946490 -0.700543 -1.664608
C 1.750479 -0.119155 -0.498124
C 1.245305 -0.065121 -3.044222
C -1.576773 1.103099 0.765127
C 1.808754 -0.845814 0.719526
C 2.461591 1.101856 -0.583262
C -2.752153 0.612173 1.355639
C -0.557414 1.760508 1.469022
C 2.552246 -0.367185 1.816434
C 3.208024 1.580419 0.518318
C 3.271130 0.855364 1.734903
C -2.904248 0.784433 2.750909
C -0.730392 1.923813 2.863195
C -1.895188 1.435008 3.500321
C 4.104709 1.351375 2.903963
H -1.587622 -3.182364 -0.534948
H -2.372823 -1.335351 -2.163622
H -0.977948 -1.717046 -3.217858
H -1.705305 -5.247176 -2.065891
H -1.382303 -4.173358 -3.547865
H 1.205622 -1.780586 -1.730541
H 2.320292 -0.167673 -3.276396
H 0.687083 -0.582657 -3.844422
H 0.969179 1.000982 -3.066031
H 1.256116 -1.789199 0.801505
H 2.424694 1.692932 -1.502657
H -3.526992 0.144490 0.740069
H 0.332125 2.134875 0.953633
H 2.581455 -0.947466 2.746972
H 3.749836 2.530172 0.429761
H -3.810258 0.419091 3.245698
H 0.046362 2.431324 3.444482
H -2.021333 1.568138 4.580410
H 5.104348 0.874642 2.908656
H 4.262843 2.443122 2.855649
H 3.628381 1.114881 3.872528


