%chk=000206037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206037

0 1
S 4.134433 0.020764 0.461915
S -3.388905 -2.226111 1.058587
N -2.943150 0.188784 -0.200399
C 0.162990 0.439204 -0.465179
C 1.550703 0.674684 0.151631
C -0.836393 1.502978 0.002412
C 2.524062 -0.417592 -0.273729
C -2.213127 1.353102 -0.662057
C 5.153085 -1.409333 0.038113
C -3.025860 -0.851359 0.374810
H -0.202629 -0.571119 -0.190790
H 0.236696 0.443613 -1.570262
H 1.468991 0.705538 1.258842
H 1.930339 1.672900 -0.151069
H -0.444746 2.516342 -0.225081
H -0.937210 1.468500 1.107026
H 2.615825 -0.478606 -1.372876
H 2.198555 -1.411600 0.083440
H -2.847881 2.250012 -0.447439
H -2.115524 1.278757 -1.774278
H 5.236182 -1.547900 -1.044478
H 4.770557 -2.331937 0.486903
H 6.161104 -1.229919 0.437057


%chk=000206037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206037

0 1
S 4.273754 0.047298 0.549653
S -3.659131 -2.355473 0.946357
N -2.889725 0.136880 -0.182371
C 0.169370 0.453561 -0.418642
C 1.572298 0.726361 0.174313
C -0.845820 1.552879 -0.037881
C 2.578715 -0.380472 -0.183455
C -2.256269 1.337203 -0.644937
C 5.226262 -1.471185 -0.022927
C -3.192328 -0.923670 0.306512
H -0.197204 -0.529116 -0.061338
H 0.240698 0.383879 -1.523978
H 1.498101 0.810972 1.276655
H 1.950286 1.700124 -0.196821
H -0.485111 2.538226 -0.395068
H -0.933188 1.620287 1.063776
H 2.691870 -0.475616 -1.278946
H 2.260145 -1.354061 0.231275
H -2.907437 2.197670 -0.395113
H -2.183556 1.294285 -1.750582
H 5.236143 -1.528348 -1.123566
H 4.783358 -2.386219 0.402703
H 6.256865 -1.355763 0.347480


