%chk=000200417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200417

0 1
S 3.254982 0.929728 0.805876
S 0.797318 2.597412 1.141808
O 1.228849 -2.166379 -0.311519
N 0.873261 0.034220 0.328623
C 3.176024 -0.805407 0.238461
C 1.700754 -1.116373 0.034301
C -0.576243 -0.034557 0.181820
C 1.498136 1.202459 0.749152
C 3.961248 -0.968699 -1.042644
C -1.321407 -0.785891 1.101997
C -1.195260 0.642207 -0.879465
C -3.346618 -0.184319 -0.102255
C -2.706708 -0.857913 0.951644
C -2.581520 0.563308 -1.013639
C -4.828430 -0.276254 -0.262783
H 3.582045 -1.469751 1.044026
H 5.033963 -0.781703 -0.890588
H 3.864721 -1.993494 -1.438532
H 3.625730 -0.286416 -1.837957
H -0.828073 -1.309284 1.919957
H -0.605976 1.227291 -1.584976
H -3.292957 -1.441953 1.659686
H -3.071271 1.088038 -1.832774
H -5.098304 -1.138035 -0.892312
H -5.346170 -0.402793 0.697806
H -5.254396 0.617759 -0.738211


%chk=000200417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200417

0 1
S 3.340633 1.067592 0.723627
S 0.810754 2.778849 1.063721
O 1.235102 -2.156614 -0.266621
N 0.886578 0.112239 0.308320
C 3.189795 -0.766141 0.240368
C 1.692119 -1.038208 0.065553
C -0.559493 0.021993 0.175391
C 1.531136 1.311655 0.682857
C 3.988579 -1.116598 -1.028189
C -1.281506 -0.837133 1.029488
C -1.224141 0.772688 -0.817114
C -3.374829 -0.196462 -0.102143
C -2.680604 -0.941045 0.885761
C -2.623678 0.662464 -0.946099
C -4.877409 -0.334586 -0.268621
H 3.548106 -1.357505 1.101191
H 5.068890 -0.968380 -0.862616
H 3.812178 -2.176001 -1.285774
H 3.676036 -0.489909 -1.880334
H -0.756564 -1.418115 1.793956
H -0.655595 1.440512 -1.471141
H -3.240429 -1.608254 1.551277
H -3.139369 1.252047 -1.712930
H -5.122378 -1.145524 -0.981809
H -5.370245 -0.579870 0.688286
H -5.329971 0.593507 -0.658902


