%chk=000295708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295708

0 1
S 4.491262 0.526923 0.193023
O -3.357337 -0.151865 -0.235992
O 0.247283 2.741291 -1.022993
O -1.834249 -1.816969 -0.173366
N 2.140888 1.620703 -0.469631
N 2.192978 -0.773946 -0.316376
C 0.112008 0.326495 -0.913804
C -1.328917 0.306269 -1.306330
C 0.733928 1.646077 -0.831482
C 0.842852 -0.807197 -0.656084
C -2.132521 -0.694359 -0.516159
C 2.786532 0.411777 -0.234184
C -4.309224 -0.991363 0.511654
C -5.530913 -0.110713 0.651416
C 4.995288 -1.179149 0.447537
H -1.429402 0.065624 -2.391725
H -1.778421 1.329078 -1.200749
H 0.398099 -1.818338 -0.686891
H 2.629644 2.519775 -0.391151
H -4.485043 -1.905207 -0.080962
H -3.837179 -1.251592 1.474682
H -6.323937 -0.617249 1.214412
H -5.291202 0.827208 1.172725
H -5.938065 0.172379 -0.329218
H 4.862802 -1.786959 -0.460520
H 4.412701 -1.665550 1.245056
H 6.056943 -1.183745 0.728412


%chk=000295708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295708

0 1
S 4.785978 0.382234 -0.243850
O -3.492135 -0.114617 -0.225506
O 0.471948 2.916802 -0.935713
O -1.754128 -1.137567 0.936818
N 2.369048 1.592080 -0.591113
N 2.278852 -0.761918 -0.259150
C 0.197841 0.508506 -0.608733
C -1.298888 0.621259 -0.776847
C 0.951598 1.760395 -0.731650
C 0.891489 -0.673286 -0.375030
C -2.145073 -0.311647 0.080781
C 2.969228 0.364499 -0.371343
C -4.472755 -0.941875 0.546984
C -5.861219 -0.550282 0.053305
C 5.091187 -1.446430 0.069560
H -1.592519 0.457492 -1.833093
H -1.599459 1.666136 -0.568325
H 0.359720 -1.618821 -0.248038
H 2.924418 2.452366 -0.665396
H -4.241845 -2.007896 0.369258
H -4.328635 -0.733301 1.622400
H -6.628431 -1.132065 0.596027
H -6.052236 0.522585 0.225428
H -5.969199 -0.754141 -1.025640
H 4.719119 -2.028854 -0.783597
H 4.570300 -1.749563 0.987414
H 6.182591 -1.542693 0.176350


