%chk=000245181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245181

0 1
S -1.660955 -0.009975 0.241125
O -6.542358 -0.074636 1.395041
O -6.194078 0.045381 -0.813659
O 5.315240 -1.134805 0.789506
O 5.317606 1.023903 0.922073
N 4.782468 -0.043297 0.667390
C 0.765012 0.048944 -0.762853
C -0.639390 0.081418 -1.266703
C -3.347051 0.035852 -0.448233
C -4.285486 -0.041169 0.744164
C 1.426526 -1.181630 -0.598751
C 1.429169 1.248739 -0.449429
C 3.390455 -0.011477 0.174079
C 2.737995 -1.216937 -0.130285
C 2.740647 1.223590 0.019659
C -5.717853 -0.015243 0.293837
H -0.863729 1.005582 -1.835041
H -0.865727 -0.765881 -1.943681
H -3.508904 0.964162 -1.030784
H -3.510238 -0.808970 -1.146167
H -4.109468 -0.963712 1.349289
H -4.111932 0.797789 1.461219
H 0.910687 -2.114918 -0.829352
H 0.915375 2.204347 -0.563958
H 3.264124 -2.168972 0.003626
H 3.268824 2.150927 0.269037
H -7.508258 -0.061211 1.155252


%chk=000245181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245181

0 1
S -1.720404 0.022038 0.548711
O -6.864905 -0.144601 1.176893
O -6.183413 -0.014731 -1.040849
O 5.509081 -1.254447 0.569456
O 5.598788 1.024364 0.618778
N 4.967561 -0.088665 0.442150
C 0.816398 0.098711 -0.650095
C -0.642550 0.162038 -1.028017
C -3.411864 0.038016 -0.303692
C -4.497452 -0.064417 0.776298
C 1.463973 -1.155850 -0.489469
C 1.559377 1.289664 -0.434021
C 3.532814 -0.024159 0.069701
C 2.822838 -1.228560 -0.131199
C 2.919985 1.239343 -0.075283
C -5.890498 -0.068646 0.173319
H -0.898006 1.117247 -1.515802
H -0.929265 -0.675647 -1.686034
H -3.513519 0.973988 -0.877448
H -3.467264 -0.813975 -1.001408
H -4.378316 -0.986105 1.377390
H -4.431978 0.776876 1.492190
H 0.894316 -2.078569 -0.644238
H 1.065323 2.260748 -0.547530
H 3.338717 -2.183983 -0.005968
H 3.508722 2.144978 0.091482
H -7.769759 -0.147854 0.761086


