%chk=000216965.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216965

0 1
S -1.019650 -1.737900 -0.425433
S -3.529858 -1.647945 1.907502
P -2.918953 -1.106845 0.192268
O 1.848559 -0.134126 -1.128366
O -2.925229 0.507723 -0.173521
O -3.701475 -1.649134 -1.158564
N 1.795546 1.680051 0.195956
N 0.516508 1.405593 -0.176210
C 4.497274 -0.468163 0.769029
C 4.068829 0.560675 -0.312986
C 4.059980 -0.013954 2.162118
C 3.956467 -1.860969 0.440372
C 2.611832 0.772245 -0.356827
C 0.522274 0.323676 -0.965511
C -0.532920 -0.441805 -1.629428
C -2.641093 1.433551 0.906391
C -5.145265 -1.519028 -1.160482
H 5.617130 -0.507532 0.744885
H 4.430901 0.222133 -1.309188
H 4.571153 1.536210 -0.113750
H 2.967033 0.002510 2.266154
H 4.413730 0.997635 2.391987
H 4.445704 -0.683355 2.939049
H 4.234614 -2.588087 1.212008
H 2.860103 -1.868076 0.373393
H 4.340173 -2.232863 -0.515349
H -1.380622 0.221373 -1.937186
H -0.175425 -0.953869 -2.551027
H -2.731739 2.404917 0.395657
H -1.611189 1.312751 1.271599
H -3.379216 1.352836 1.712720
H -5.602891 -2.086971 -0.339989
H -5.412387 -1.975988 -2.125514
H -5.444000 -0.464169 -1.147556


%chk=000216965-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216965

0 1
S -1.000653 -1.939581 -0.526192
S -3.689575 -1.725151 2.037945
P -3.057031 -1.179241 0.153309
O 1.943561 -0.169104 -1.143586
O -3.074338 0.524127 -0.219217
O -3.963566 -1.702308 -1.228884
N 1.906762 1.722726 0.127397
N 0.555377 1.416662 -0.283391
C 4.610801 -0.451990 0.813818
C 4.168871 0.603837 -0.257445
C 4.134131 -0.057952 2.230167
C 4.166384 -1.885665 0.443175
C 2.693400 0.775451 -0.387509
C 0.616787 0.307723 -1.020717
C -0.488572 -0.457211 -1.639811
C -2.711131 1.520158 0.826742
C -5.435546 -1.508902 -1.191384
H 5.720128 -0.422954 0.802061
H 4.585400 0.317254 -1.241244
H 4.584006 1.589892 0.016472
H 3.031156 -0.075427 2.302483
H 4.470182 0.958981 2.503810
H 4.532435 -0.765186 2.980198
H 4.582425 -2.613353 1.163544
H 3.065940 -1.984974 0.462859
H 4.512087 -2.170369 -0.567920
H -1.377373 0.183973 -1.745781
H -0.206456 -0.894568 -2.608246
H -3.239298 2.438664 0.528313
H -1.619899 1.681416 0.812256
H -3.059945 1.183472 1.820283
H -5.869348 -2.002472 -0.302714
H -5.796960 -1.991513 -2.111124
H -5.684244 -0.433316 -1.195467


