%chk=000198468.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198468

0 1
S -2.261312 1.888800 -0.435833
O -1.971999 -1.933765 -0.392877
O 4.132242 0.231453 0.384244
O 3.197737 -1.716611 0.267376
N -2.876278 0.263607 -0.511850
N 3.161465 -0.497273 0.261068
C -0.521826 -0.015270 -0.210471
C -0.597443 1.402064 -0.222403
C 0.704195 -0.659611 -0.052727
C 1.842351 0.145121 0.091465
C -1.871092 -0.584760 -0.382065
C 0.541944 2.195515 -0.078018
C 1.768107 1.558266 0.079744
C -3.317695 -2.482490 -0.563822
H 0.775705 -1.754662 -0.041923
H 0.476074 3.283716 -0.088209
H 2.692247 2.138797 0.196959
H -3.957552 -2.158942 0.263679
H -3.116699 -3.559600 -0.535722
H -3.728271 -2.162854 -1.527214


%chk=000198468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198468

0 1
S -2.325244 1.938494 -0.443085
O -1.966422 -1.967979 -0.391584
O 4.212636 0.269821 0.390364
O 3.218366 -1.784571 0.273905
N -2.906934 0.210387 -0.514668
N 3.175531 -0.492628 0.263311
C -0.525068 -0.003661 -0.210304
C -0.602588 1.421908 -0.222606
C 0.715878 -0.652574 -0.050514
C 1.853211 0.160143 0.093053
C -1.848572 -0.599445 -0.378448
C 0.553789 2.221314 -0.076726
C 1.794372 1.580378 0.082544
C -3.336873 -2.508030 -0.567027
H 0.797142 -1.742342 -0.037831
H 0.494832 3.313381 -0.086541
H 2.720253 2.148969 0.199248
H -3.987114 -2.166225 0.256152
H -3.207133 -3.598642 -0.549757
H -3.758163 -2.167198 -1.528087


