%chk=000229610.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229610

0 1
S 1.054013 -2.076408 -0.298820
O 0.824599 -3.309482 -1.018211
O 1.180724 -2.084352 1.138155
N 2.503887 -1.474772 -1.014594
C -2.514922 -0.086862 -0.478499
C -3.868886 -0.385608 0.179302
C -1.474215 -1.155888 -0.114245
C -4.912183 0.681291 -0.178800
C -0.122004 -0.864225 -0.769891
C -6.266130 0.381888 0.478319
C -7.312039 1.447669 0.121797
C -8.661267 1.154390 0.773907
C 3.248490 -0.353211 -0.555605
C 4.262151 0.167119 -1.389035
C 2.975256 0.260342 0.680995
C 4.689953 1.930242 0.230084
C 4.970924 1.298935 -0.992269
C 3.691416 1.395836 1.058704
C 5.438651 3.156843 0.639645
H -2.634741 -0.033487 -1.577952
H -2.157042 0.912837 -0.164348
H -4.230149 -1.384392 -0.134835
H -3.751031 -0.441272 1.279271
H -1.845328 -2.154594 -0.429228
H -1.360705 -1.201267 0.991269
H -5.032415 0.737461 -1.277975
H -4.554056 1.680138 0.137240
H -0.243768 -0.818590 -1.873269
H 0.211351 0.161453 -0.498897
H -6.626890 -0.616491 0.164147
H -6.149039 0.325276 1.577735
H -7.433185 1.503474 -0.977767
H -6.954147 2.447120 0.437760
H 2.966708 -2.041574 -1.737535
H -9.063486 0.186785 0.452700
H -9.401455 1.919446 0.514141
H -8.584950 1.129946 1.866973
H 4.492802 -0.308977 -2.338525
H 2.245471 -0.163184 1.377041
H 5.751206 1.695695 -1.640897
H 3.474210 1.865087 2.018293
H 5.542130 3.234624 1.730240
H 6.453813 3.183651 0.222215
H 4.920377 4.063691 0.295662


%chk=000229610-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229610

0 1
S 1.011192 -0.780511 -0.294385
O 0.843251 -2.354754 -0.708410
O 1.323505 -0.353531 1.247294
N 2.361632 0.143391 -1.534724
C -3.100803 0.302756 -0.552723
C -4.335903 -0.206013 0.226330
C -1.793088 -0.383212 -0.080737
C -5.658430 0.437697 -0.247489
C -0.587409 0.144898 -0.857671
C -6.892588 -0.063305 0.536591
C -8.219862 0.565707 0.054505
C -9.446911 0.063226 0.845776
C 3.571678 0.498423 -0.880399
C 4.791976 -0.203389 -1.105851
C 3.574376 1.614751 0.002550
C 5.998211 1.353547 0.373511
C 5.985608 0.235203 -0.503732
C 4.769391 2.024147 0.620589
C 7.289687 1.827235 1.012982
H -3.247739 0.115621 -1.636353
H -3.015368 1.401820 -0.428780
H -4.406605 -1.308092 0.119613
H -4.194802 -0.005465 1.308434
H -1.877457 -1.477218 -0.226778
H -1.646271 -0.203641 1.001509
H -5.801886 0.227555 -1.328190
H -5.587184 1.541399 -0.151478
H -0.628953 -0.056891 -1.940385
H -0.346777 1.202173 -0.664257
H -6.960157 -1.167889 0.449108
H -6.755888 0.154687 1.616552
H -8.357631 0.343838 -1.023665
H -8.151095 1.669653 0.138324
H 2.515455 -0.636338 -2.209213
H -9.555284 -1.034134 0.754527
H -10.382187 0.526415 0.480970
H -9.349487 0.301233 1.921980
H 4.796316 -1.086628 -1.757535
H 2.636214 2.145465 0.191432
H 6.919455 -0.304574 -0.701299
H 4.753111 2.880052 1.305655
H 7.104905 2.325483 1.980489
H 7.987105 0.989079 1.187724
H 7.810799 2.556735 0.362007


