%chk=000280680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280680

0 1
S -0.347869 -0.595324 -0.610316
O -1.287264 1.999890 0.771127
O -2.678953 1.735572 -0.973136
N -4.038701 0.004684 1.014864
C -1.986960 -1.187843 0.000165
C -2.572246 0.007733 0.803117
C -1.834143 -2.421675 0.867473
C -2.752575 -1.469676 -1.282443
C 0.677274 -0.362226 0.884126
C -2.230187 1.296476 0.055998
C 2.038192 -0.066154 0.345846
C 2.446454 1.264517 0.158522
C 2.917264 -1.113601 0.025213
C 3.721781 1.541488 -0.340239
C 4.191007 -0.829322 -0.473152
C 4.596404 0.496830 -0.655602
H -2.096495 0.046130 1.826148
H -1.274637 -2.230976 1.791630
H -1.304584 -3.224868 0.332645
H -2.807820 -2.834665 1.162600
H -2.215344 -2.170045 -1.939645
H -3.732117 -1.921244 -1.087050
H -2.925430 -0.552979 -1.874305
H 0.663278 -1.265973 1.519272
H 0.272683 0.477373 1.489155
H -4.332667 -0.858959 1.461115
H -4.540181 0.085536 0.131022
H 1.767240 2.080897 0.397565
H 2.604626 -2.147973 0.155832
H -1.020268 2.844726 0.318769
H 4.034008 2.574466 -0.485360
H 4.869035 -1.643973 -0.722485
H 5.588895 0.715055 -1.044269


%chk=000280680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280680

0 1
S -0.312008 -0.692086 -0.839772
O -1.516821 2.184199 0.666429
O -3.191712 1.730481 -0.873393
N -3.970014 -0.137438 1.226882
C -2.034896 -1.183406 -0.107691
C -2.579331 -0.004014 0.792172
C -1.912349 -2.466282 0.738987
C -2.907944 -1.431674 -1.356576
C 0.748599 -0.372189 0.728882
C -2.473685 1.348364 0.076605
C 2.168187 -0.080200 0.302073
C 2.593103 1.257084 0.091517
C 3.097343 -1.132982 0.096607
C 3.918902 1.537408 -0.307895
C 4.423645 -0.855677 -0.301550
C 4.838906 0.481402 -0.504776
H -1.943125 0.049296 1.692752
H -1.262170 -2.322284 1.621769
H -1.493595 -3.287859 0.133190
H -2.910929 -2.781145 1.101326
H -2.468769 -2.234989 -1.974112
H -3.919537 -1.756289 -1.047938
H -3.007752 -0.523605 -1.973952
H 0.693002 -1.278988 1.353168
H 0.305364 0.486925 1.256051
H -4.174283 -0.780604 1.988443
H -4.687673 -0.030471 0.510117
H 1.879162 2.075523 0.242880
H 2.775612 -2.170671 0.246833
H -1.499770 3.051504 0.175440
H 4.234461 2.575182 -0.464183
H 5.131738 -1.678220 -0.453099
H 5.868037 0.697603 -0.812985


