%chk=000219926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219926

0 1
S -4.382050 -0.817380 -0.164722
O 0.005494 3.039755 0.272234
O -4.594060 -1.189137 1.471389
O -5.601964 -0.130565 -0.521286
O -4.060492 -2.071323 -0.795530
N 2.346319 -1.440921 0.377556
C -1.712327 -0.180468 0.030249
C -0.673193 0.780163 0.153567
C -3.069133 0.268404 -0.071206
C 1.021110 -0.957864 0.250451
C 0.687255 0.383964 0.278424
C -1.331181 -1.563297 0.012037
C -1.040421 2.172481 0.154939
C -0.020893 -1.942730 0.118272
C -3.365605 1.620980 -0.067229
C -2.354180 2.596409 0.041045
C 3.530457 -0.708423 0.099371
C 4.715406 -1.102511 0.761400
C 3.562589 0.334810 -0.846139
C 5.908992 -0.439602 0.480351
C 4.769046 0.986078 -1.105417
C 5.942928 0.608091 -0.446475
H 1.441656 1.163687 0.410111
H -2.103105 -2.339113 -0.111728
H 0.246655 -3.000329 0.090533
H -4.407777 1.964385 -0.153122
H -2.618483 3.649347 0.037258
H 2.460322 -2.368808 0.780398
H 4.701859 -1.908659 1.489360
H 2.664027 0.619381 -1.389961
H -0.287451 3.990263 0.276263
H -5.461220 -1.533917 1.721830
H 6.823649 -0.740372 0.991670
H 4.794030 1.794909 -1.836108
H 6.877144 1.122210 -0.655385


%chk=000219926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219926

0 1
S -4.563240 -0.851327 -0.075644
O -0.031736 3.153967 0.046166
O -4.449605 -1.392084 1.706569
O -5.930182 -0.010443 -0.286718
O -4.302992 -2.169115 -0.984090
N 2.333003 -1.362414 0.275294
C -1.766405 -0.150187 0.034810
C -0.716644 0.850275 0.058238
C -3.113770 0.326881 -0.030674
C 1.012812 -0.892570 0.173030
C 0.653096 0.467096 0.134927
C -1.375367 -1.528809 0.086658
C -1.092512 2.242679 0.022381
C -0.033328 -1.882555 0.147946
C -3.465413 1.673420 -0.059564
C -2.431011 2.647660 -0.037431
C 3.561168 -0.680887 0.076256
C 4.717648 -1.188601 0.732801
C 3.698227 0.435187 -0.794451
C 5.977543 -0.590839 0.529856
C 4.963159 1.032193 -0.979688
C 6.109909 0.531138 -0.321574
H 1.401113 1.257904 0.201976
H -2.141085 -2.308058 0.056131
H 0.241510 -2.944689 0.170973
H -4.517779 1.968559 -0.106405
H -2.692552 3.711888 -0.065652
H 2.424300 -2.334706 0.575928
H 4.621421 -2.046769 1.410168
H 2.837014 0.810594 -1.352937
H -0.358314 4.087730 0.032588
H -5.149377 -2.095984 1.841875
H 6.855218 -0.996802 1.045028
H 5.052408 1.888689 -1.657425
H 7.087164 1.000880 -0.472947


