%chk=000231302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231302

0 1
S -0.189460 1.949520 -0.156496
S -3.662769 -0.350489 1.377663
O 0.146580 3.073445 0.699568
O -0.651532 2.187154 -1.498091
N -1.530255 1.273880 0.766782
N -1.809398 -0.762471 -0.463388
N 4.079589 -2.097578 0.022869
C 1.035430 0.779818 -0.110623
C -2.170894 0.095827 0.440900
C -3.853522 -1.898539 0.431692
C -2.693976 -1.935979 -0.586185
C 1.088082 -0.239976 -1.077927
C 2.019175 0.832942 0.893153
C 2.101827 -1.187481 -1.056739
C 3.041445 -0.100336 0.940741
C 3.087420 -1.129378 -0.038918
H -1.934614 1.833195 1.532067
H -4.839117 -1.902258 -0.065447
H -3.823501 -2.756130 1.125374
H -2.073348 -2.850438 -0.448726
H -3.083687 -1.964026 -1.630120
H 0.319066 -0.285492 -1.862884
H 1.981365 1.632875 1.644575
H 2.128838 -1.971525 -1.807152
H 3.794527 -0.049695 1.720807
H 4.201104 -2.754947 -0.726957
H 4.853223 -1.999717 0.655960


%chk=000231302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231302

0 1
S -0.231730 1.817793 -0.115984
S -4.086709 -0.188557 1.258315
O 0.110858 3.108462 0.814434
O -0.768919 1.982585 -1.633304
N -1.567288 1.001492 0.945290
N -2.034538 -0.896855 -0.426582
N 4.511478 -1.921050 -0.004291
C 1.199304 0.635291 -0.067242
C -2.359310 -0.023609 0.481001
C -4.163152 -1.886771 0.416287
C -3.153502 -1.800612 -0.772488
C 1.230285 -0.440315 -0.973986
C 2.223628 0.890372 0.863169
C 2.344711 -1.293543 -0.948514
C 3.334095 0.030820 0.881871
C 3.411666 -1.073529 -0.022338
H -1.901519 1.663133 1.654381
H -5.195235 -2.061957 0.076733
H -3.868305 -2.645393 1.158405
H -2.760239 -2.804997 -1.010412
H -3.661263 -1.409892 -1.677151
H 0.395198 -0.607458 -1.660009
H 2.155280 1.750749 1.536491
H 2.393660 -2.139564 -1.643311
H 4.148907 0.211785 1.592007
H 4.577210 -2.705261 -0.647062
H 5.277029 -1.770919 0.646787


