%chk=000298574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298574

0 1
S 0.742711 1.642595 -0.664346
O -1.806799 1.855920 0.211972
O 1.415274 2.906192 -0.265766
C -1.688949 0.393644 0.261047
C -0.523442 1.297270 0.593834
C -1.782071 -0.292075 -1.087300
C -2.401397 -0.277095 1.420018
C -3.209114 -0.763014 -1.398732
C -3.816404 -0.732220 1.043399
C -3.809574 -1.568818 -0.241309
C 1.860574 0.322253 -0.195508
C 1.528373 -1.004766 -0.460107
C 3.096512 0.657916 0.355725
C 2.450387 -2.015303 -0.166658
C 4.017711 -0.353694 0.649450
C 3.693871 -1.688990 0.387373
H -0.231702 1.495971 1.627720
H -1.078753 -1.155524 -1.102124
H -1.454090 0.398886 -1.893136
H -2.456912 0.417765 2.284009
H -1.797208 -1.143696 1.756546
H -3.207293 -1.366459 -2.325769
H -3.847358 0.120399 -1.607656
H -4.465917 0.156849 0.909142
H -4.256777 -1.311163 1.876661
H -4.840038 -1.882587 -0.494167
H -3.235505 -2.501785 -0.086107
H 0.556757 -1.269687 -0.889039
H 3.341381 1.708325 0.555082
H 2.201655 -3.055053 -0.369678
H 4.984857 -0.099561 1.080460
H 4.410841 -2.477097 0.614264


%chk=000298574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298574

0 1
S 0.804057 1.701957 -0.914867
O -1.928526 1.826275 0.059885
O 1.524107 3.048738 -0.224771
C -1.661928 0.299626 0.209199
C -0.590574 1.322963 0.393055
C -1.841016 -0.476969 -1.089763
C -2.320004 -0.322899 1.434729
C -3.342667 -0.765277 -1.343562
C -3.814834 -0.628042 1.161962
C -3.995472 -1.464503 -0.127221
C 1.946287 0.269968 -0.342546
C 1.812402 -1.036572 -0.848710
C 2.967453 0.639946 0.546948
C 2.731449 -2.021039 -0.412856
C 3.876222 -0.353788 0.979383
C 3.756304 -1.680801 0.502421
H -0.171451 1.618372 1.367418
H -1.291900 -1.437078 -1.002025
H -1.408631 0.085400 -1.937810
H -2.214612 0.352875 2.302645
H -1.780406 -1.261477 1.677337
H -3.451024 -1.388309 -2.251370
H -3.860622 0.193293 -1.541533
H -4.360855 0.329995 1.058430
H -4.249036 -1.158475 2.030330
H -5.071607 -1.633176 -0.321067
H -3.534461 -2.464697 0.013450
H 1.031038 -1.290267 -1.573503
H 3.032633 1.691368 0.859052
H 2.652253 -3.045089 -0.794162
H 4.679612 -0.090777 1.676094
H 4.467409 -2.446141 0.832727


