%chk=000288974.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288974

0 1
S -4.048512 -1.670747 -1.574856
O -4.205098 -2.856736 -0.771016
O -4.481023 -1.697157 -2.961141
N -1.705016 -1.153773 -0.563186
N -2.350456 -1.315204 -1.757251
C 2.251979 0.093479 -0.151019
C 1.637382 -0.181300 -1.539685
C 1.160750 0.248059 0.928349
C 3.297544 -0.958971 0.233636
C 3.104434 1.369311 -0.210726
C 0.626799 -1.333805 -1.531517
C 0.149618 -0.903122 0.932351
C 4.586037 -0.358128 0.373007
C 4.466073 1.080367 0.098522
C -0.407755 -1.137378 -0.452263
C 3.142081 -2.317950 0.444572
C 2.713283 2.662820 -0.510601
C 5.694844 -1.116910 0.717115
C 5.422308 2.085669 0.104792
C 4.268840 -3.086919 0.793973
C 3.685825 3.681030 -0.503481
C 5.524426 -2.497251 0.927853
C 5.017077 3.397369 -0.201138
C -4.703410 -0.303466 -0.773558
C -5.421211 0.653254 -1.502865
C -4.529345 -0.141471 0.605924
C -5.967086 1.762213 -0.859216
C -5.072955 0.966963 1.256206
C -5.795174 1.927263 0.527436
C -6.391372 3.105421 1.221813
H 2.445598 -0.397207 -2.266185
H 1.138023 0.739867 -1.902353
H 0.623889 1.204464 0.765419
H 1.635369 0.331027 1.926041
H 1.150038 -2.299627 -1.357255
H 0.168194 -1.424207 -2.535906
H -0.661025 -0.686018 1.659712
H 0.627247 -1.840621 1.289491
H 2.167114 -2.793351 0.345385
H 1.678638 2.898739 -0.748272
H 6.675577 -0.660251 0.823028
H 6.461370 1.869953 0.339819
H 4.151089 -4.156576 0.960854
H 3.388759 4.701880 -0.738206
H 6.385340 -3.106252 1.198374
H 5.755791 4.197313 -0.200582
H -1.833845 -1.563975 -2.612821
H -5.558769 0.526591 -2.584052
H -3.964194 -0.885889 1.179061
H -6.527514 2.499402 -1.430585
H -4.936768 1.085014 2.329247
H -7.411809 2.875332 1.567939
H -5.814659 3.409943 2.106320
H -6.465941 3.986517 0.569299


%chk=000288974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288974

0 1
S -4.128866 -1.877869 -1.177888
O -4.181519 -2.970410 0.025989
O -4.621609 -2.235581 -2.688604
N -1.628629 -1.117276 -0.309082
N -2.317252 -1.237219 -1.505395
C 2.439131 0.136113 -0.079097
C 1.666535 0.041825 -1.436421
C 1.402010 0.238316 1.089020
C 3.475118 -0.993802 0.112480
C 3.345668 1.379655 -0.084536
C 0.603313 -1.090424 -1.491750
C 0.338986 -0.889343 1.080466
C 4.794910 -0.447174 0.200328
C 4.713038 1.019083 0.079926
C -0.313830 -1.050914 -0.278100
C 3.302830 -2.390303 0.202473
C 2.978568 2.729957 -0.221473
C 5.922080 -1.278191 0.375380
C 5.721791 2.007139 0.107384
C 4.434225 -3.227472 0.378035
C 3.988442 3.724691 -0.193762
C 5.734920 -2.676486 0.463962
C 5.349561 3.364526 -0.030741
C -4.965583 -0.309767 -0.585888
C -5.471111 0.575493 -1.550654
C -5.077468 -0.101139 0.797196
C -6.125578 1.738740 -1.090863
C -5.734850 1.071764 1.229073
C -6.266617 2.003187 0.298077
C -7.002151 3.241292 0.777122
H 2.389234 -0.089000 -2.262770
H 1.153997 1.009331 -1.603031
H 0.885290 1.214207 1.000022
H 1.936976 0.241479 2.056458
H 1.116745 -2.071352 -1.539507
H 0.026836 -0.980037 -2.429442
H -0.446231 -0.688400 1.829295
H 0.819959 -1.844594 1.371436
H 2.312660 -2.851503 0.142973
H 1.929392 3.023148 -0.347378
H 6.928650 -0.850208 0.442217
H 6.775545 1.734304 0.234174
H 4.297526 -4.312338 0.448498
H 3.715781 4.780749 -0.298799
H 6.598140 -3.337467 0.599870
H 6.117603 4.145850 -0.011283
H -1.957695 -1.911061 -2.219350
H -5.369014 0.352696 -2.617454
H -4.675741 -0.835140 1.502237
H -6.533072 2.448366 -1.820004
H -5.835735 1.265000 2.303196
H -8.081706 3.030668 0.904601
H -6.619309 3.590223 1.751849
H -6.913497 4.071665 0.055339


