%chk=000225950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225950

0 1
S -3.739165 2.788072 -0.506780
O -0.300440 -2.511113 -0.035490
O 0.846671 0.244901 2.300706
O 0.024420 0.096822 -2.257593
O -2.549169 -2.361621 -0.236898
N 0.096002 0.096210 0.090983
C -1.270617 -0.364821 0.396792
C -2.340683 0.512890 -0.282875
C 1.081640 0.323908 1.123962
C 0.642658 0.251266 -1.239771
C 2.335657 0.683955 0.384607
C 2.075585 0.644130 -1.013933
C -2.436551 1.874609 0.385772
C -1.487661 -1.832822 -0.010720
C 3.581998 1.014566 0.870995
C 3.060686 0.936238 -1.932055
C 4.596376 1.314177 -0.069892
C 4.342230 1.276380 -1.435790
C -0.335068 -3.941043 -0.362777
C -3.872882 4.301631 0.470068
C -0.792416 -4.731257 0.843929
H -1.398368 -0.328991 1.523095
H -3.320358 -0.020661 -0.242320
H -2.113111 0.613626 -1.370317
H -1.480075 2.425833 0.325730
H -2.697809 1.788114 1.456373
H 3.785665 1.044940 1.942242
H 2.865321 0.907407 -3.005149
H 5.591234 1.577649 0.293406
H 5.137267 1.510669 -2.145964
H -0.989456 -4.082518 -1.241443
H 0.724649 -4.112922 -0.625521
H -4.189067 4.099495 1.498529
H -4.637035 4.934505 -0.002336
H -2.932988 4.862192 0.489677
H -0.674618 -5.809802 0.685804
H -0.224961 -4.460429 1.743923
H -1.855260 -4.544880 1.062328


%chk=000225950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225950

0 1
S -3.816326 2.890169 -0.441448
O -0.300184 -2.592524 -0.068325
O 0.638669 0.531538 2.317065
O 0.094366 -0.280717 -2.288487
O -2.609476 -2.428527 -0.357879
N 0.030908 0.055660 0.067607
C -1.325311 -0.434909 0.337357
C -2.429684 0.462515 -0.278537
C 0.925912 0.479626 1.095492
C 0.646844 0.073643 -1.218990
C 2.203162 0.827103 0.397438
C 2.035327 0.587244 -0.988507
C -2.457629 1.853145 0.374137
C -1.505540 -1.907479 -0.088656
C 3.413930 1.309168 0.916360
C 3.073090 0.822400 -1.902182
C 4.470814 1.549871 -0.000036
C 4.302741 1.310567 -1.387769
C -0.353758 -4.049106 -0.422532
C -3.579927 4.474116 0.547074
C -0.685546 -4.891799 0.811005
H -1.419325 -0.418111 1.444766
H -3.395956 -0.051535 -0.132234
H -2.265534 0.545658 -1.367576
H -1.497964 2.383613 0.238350
H -2.678502 1.782709 1.454755
H 3.532138 1.489254 1.989370
H 2.932309 0.633354 -2.970939
H 5.431669 1.925670 0.367408
H 5.136229 1.505826 -2.070907
H -1.104185 -4.182721 -1.220942
H 0.656666 -4.254027 -0.809677
H -3.765127 4.290850 1.617871
H -4.316921 5.197471 0.164727
H -2.562932 4.871876 0.397839
H -0.632114 -5.965301 0.550896
H 0.032740 -4.698396 1.626234
H -1.705270 -4.676588 1.171169


