%chk=000229359.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229359

0 1
S 1.117611 1.940519 -0.049534
O 1.068028 3.157240 0.729916
O 1.697153 1.915764 -1.368142
O -4.528158 -1.414670 -1.177658
O -5.362756 -0.112494 0.438628
N 1.963297 0.850696 0.979806
C -0.475193 1.244769 -0.121003
C 2.486946 -0.419104 0.612689
C -1.476249 1.744850 0.716766
C -0.747932 0.205183 -1.012331
C -3.031099 0.146304 -0.218735
C -2.760831 1.196115 0.672022
C -2.030911 -0.351087 -1.063635
C 2.637140 -0.795615 -0.734929
C 2.842575 -1.316784 1.643961
C 3.115181 -2.071629 -1.037999
C 3.321493 -2.583978 1.315024
C 3.452228 -2.971789 -0.022988
C -4.407821 -0.416629 -0.237077
H 2.188311 1.157225 1.936788
H -1.261611 2.573166 1.404192
H 0.032837 -0.177949 -1.679576
H -3.554302 1.577601 1.322286
H -2.257672 -1.167196 -1.756667
H 2.437510 -0.091655 -1.548168
H 2.743248 -1.028291 2.686586
H 3.234099 -2.362526 -2.082391
H 3.595001 -3.278148 2.109984
H 3.822312 -3.962934 -0.270896
H -5.447635 -1.800753 -1.201820


%chk=000229359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229359

0 1
S 1.229549 2.150814 -0.213959
O 1.082632 3.544266 0.607095
O 1.762473 2.057612 -1.742230
O -4.407854 -1.681932 -0.930265
O -5.121466 -0.426618 0.890120
N 2.486238 1.116802 0.849911
C -0.453933 1.268506 -0.157917
C 2.617663 -0.261027 0.523711
C -1.369063 1.669362 0.831773
C -0.709269 0.261216 -1.104045
C -2.904210 -0.023823 -0.053198
C -2.613844 1.009997 0.875839
C -1.957815 -0.393783 -1.043257
C 3.218353 -0.615253 -0.718092
C 2.211339 -1.282677 1.429520
C 3.405061 -1.974598 -1.038993
C 2.440511 -2.637999 1.112941
C 3.026867 -2.990003 -0.125929
C -4.234439 -0.691333 0.045070
H 2.198569 1.312316 1.826147
H -1.123492 2.487910 1.516084
H 0.031268 0.017076 -1.871554
H -3.372354 1.282638 1.616294
H -2.207080 -1.184393 -1.755408
H 3.538717 0.179300 -1.398128
H 1.736254 -1.010893 2.380936
H 3.867544 -2.243377 -1.994921
H 2.149133 -3.418225 1.824550
H 3.192954 -4.043554 -0.374902
H -5.307505 -2.092126 -0.822095


