%chk=000284510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284510

0 1
S 4.631309 -0.212478 0.124863
O 4.866193 -1.337930 -0.753104
O 4.949082 1.131487 -0.306481
N 5.578622 -0.499638 1.537488
C 0.547405 -0.058880 0.143872
C 1.990185 -0.029988 -0.379092
C -0.461922 0.166640 -0.992822
C -1.870697 0.165082 -0.459092
C 2.994917 -0.269350 0.749839
C -2.494777 1.348172 -0.011379
C -2.567159 -1.049966 -0.403101
C -3.878541 -1.107482 0.089206
C -3.808343 1.283301 0.478120
C -4.497632 0.071465 0.529955
C -1.791802 2.667840 -0.053776
C -4.613707 -2.408634 0.126919
H 0.336887 -1.027700 0.638353
H 0.407071 0.712554 0.926347
H 2.188147 0.949242 -0.866625
H 2.113680 -0.801239 -1.170221
H -0.243387 1.117551 -1.519443
H -0.344027 -0.620599 -1.765952
H 2.840971 0.477647 1.557947
H 2.780867 -1.240335 1.246177
H -2.083137 -1.961690 -0.747900
H -4.300207 2.191730 0.823164
H -5.515542 0.044407 0.911388
H -1.600744 2.981466 -1.090239
H -2.372586 3.469304 0.420562
H -0.822386 2.626168 0.461808
H -3.942568 -3.261065 0.294581
H -5.371876 -2.436430 0.920355
H -5.133902 -2.586803 -0.825967
H 6.167619 0.259743 1.875360
H 6.112188 -1.366294 1.581990


%chk=000284510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284510

0 1
S 4.788806 -0.242637 0.122101
O 4.980630 -1.554236 -0.826735
O 5.128543 1.261967 -0.405510
N 5.757967 -0.524888 1.677205
C 0.541276 -0.037869 0.178107
C 2.000315 -0.031781 -0.345577
C -0.485033 0.167416 -0.972521
C -1.923873 0.172229 -0.471401
C 2.983691 -0.250367 0.802701
C -2.551313 1.370556 -0.012312
C -2.641066 -1.048771 -0.420121
C -3.966170 -1.133663 0.073957
C -3.875252 1.286364 0.485672
C -4.574011 0.060164 0.534296
C -1.844866 2.716517 -0.063774
C -4.719476 -2.453243 0.080032
H 0.323857 -0.998325 0.685654
H 0.409857 0.757598 0.938250
H 2.213701 0.934251 -0.842486
H 2.126243 -0.829939 -1.102455
H -0.246793 1.113748 -1.494892
H -0.348651 -0.646457 -1.711051
H 2.996083 0.558713 1.550051
H 2.903760 -1.236996 1.285939
H -2.149261 -1.962220 -0.782410
H -4.367203 2.199833 0.842550
H -5.597601 0.031404 0.927961
H -1.621276 3.021111 -1.104671
H -2.472133 3.505823 0.384838
H -0.881891 2.705702 0.480737
H -4.039770 -3.309593 0.238243
H -5.487799 -2.476423 0.873050
H -5.238023 -2.621307 -0.884317
H 6.381480 0.290915 1.809977
H 6.285451 -1.408298 1.562013


