%chk=000217198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217198

0 1
S -0.331458 3.207959 0.000570
O 0.843649 -1.142280 -0.000051
N 4.167443 -1.082098 -0.000692
C -0.933638 0.564724 0.000926
C -0.506522 -0.778173 0.000354
C 0.052598 1.634106 0.001534
C -2.328831 0.793533 0.001020
C -1.385395 -1.871655 -0.000052
C -3.218288 -0.275165 0.000622
C 1.441698 1.207009 0.000503
C -2.750179 -1.602225 0.000097
C 1.767797 -0.103689 -0.000008
C 3.095949 -0.652368 -0.000848
H -2.702402 1.823821 0.001493
H -0.995214 -2.888345 -0.000518
H 2.216185 1.985035 0.000342
H -4.292223 -0.086874 0.000734
H -3.465270 -2.427515 -0.000228


%chk=000217198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217198

0 1
S -0.328511 3.304606 0.001291
O 0.854212 -1.174672 -0.000168
N 4.279524 -0.994291 -0.000985
C -0.936293 0.546004 0.000612
C -0.513269 -0.816006 0.000137
C 0.061158 1.634644 0.000825
C -2.338897 0.789672 0.000872
C -1.419434 -1.895901 -0.000071
C -3.257160 -0.271435 0.000668
C 1.444694 1.196881 0.000458
C -2.797583 -1.618029 0.000195
C 1.795126 -0.138859 0.000005
C 3.145150 -0.615932 -0.000319
H -2.666980 1.834735 0.001238
H -1.032714 -2.918767 -0.000438
H 2.234870 1.951304 0.000562
H -4.331854 -0.064211 0.000879
H -3.516140 -2.443944 0.000036


