%chk=000299062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299062

0 1
S -2.848829 -1.918085 0.000349
S 2.852763 -1.913001 -0.000142
O -2.760773 0.727265 0.000829
O 2.760200 0.732178 -0.000542
N -4.858309 -0.100460 0.000099
N 4.859114 -0.091917 -0.000210
C -1.355314 0.532547 0.000452
C 1.355109 0.534970 -0.000168
C -0.698585 0.516429 -1.235254
C 0.697838 0.517674 -1.235572
C -0.698018 0.516352 1.235856
C 0.698403 0.517612 1.235538
C -3.540312 -0.413276 0.000513
C 3.541688 -0.407024 -0.000227
C -5.347967 1.297067 0.000382
C -5.899656 -1.152463 0.000386
C 5.346306 1.306455 -0.000633
C 5.902294 -1.142095 -0.000794
H -1.266209 0.490683 -2.163951
H 1.265096 0.493012 -2.164530
H -1.265229 0.490554 2.164806
H 1.266079 0.492894 2.164239
H -5.962384 1.492724 -0.895170
H -4.506059 2.016910 -0.003020
H -5.956653 1.494462 0.899475
H -5.456487 -2.170908 0.001533
H -6.531912 -1.067310 -0.899791
H -6.533095 -1.065754 0.899569
H 5.955037 1.504689 -0.899506
H 5.959969 1.503427 0.895149
H 4.503111 2.024793 0.002205
H 6.535096 -1.055384 0.898846
H 6.534884 -1.054707 -0.900511
H 5.460905 -2.161312 -0.001105


%chk=000299062-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299062

0 1
S -2.974521 -2.060181 -0.001395
S 2.978598 -2.054765 0.002024
O -2.814731 0.688144 0.001348
O 2.814239 0.693288 -0.000634
N -4.944805 -0.123412 0.000126
N 4.945647 -0.114686 -0.000229
C -1.389529 0.572196 0.000810
C 1.389242 0.574809 -0.000097
C -0.705974 0.573068 -1.230464
C 0.704883 0.574373 -1.230921
C -0.705171 0.573168 1.231635
C 0.705685 0.574521 1.231176
C -3.617454 -0.479185 0.000335
C 3.618904 -0.472700 0.000555
C -5.417876 1.275674 0.001546
C -6.004275 -1.144986 -0.000838
C 5.416321 1.285206 -0.002051
C 6.006864 -1.134450 -0.000078
H -1.271271 0.566300 -2.166589
H 1.269602 0.568637 -2.167401
H -1.269874 0.566485 2.168117
H 1.270997 0.568887 2.167299
H -6.040335 1.462617 -0.894541
H -4.564059 1.963208 -0.000785
H -6.035421 1.462827 0.901021
H -5.542402 -2.143557 -0.000564
H -6.638551 -1.033418 -0.900947
H -6.639966 -1.033504 0.898280
H 6.033479 1.473146 -0.901624
H 6.038526 1.473482 0.893937
H 4.561329 1.971285 0.000160
H 6.641980 -1.021353 0.899243
H 6.641324 -1.022313 -0.899986
H 5.546696 -2.133809 0.000634


