%chk=000281427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281427

0 1
S -5.438531 1.108141 0.506077
O -6.166010 1.744855 -0.576797
O -5.939343 1.197607 1.849726
O 4.625147 2.038400 0.632906
O 1.950863 3.560706 -2.336323
N 3.400325 0.559081 -0.660287
N -5.515639 -0.552964 -0.037086
N 1.172567 2.158160 -0.083857
N 0.219441 2.876957 0.259576
N -4.015963 -1.285594 1.616591
C 4.298835 -0.563069 -0.689220
C 4.701142 -2.814730 -1.485167
C 6.373010 -1.675270 -0.136451
C -3.784682 1.562024 0.425396
C 2.499692 2.821310 -0.109063
C 5.542913 -0.543935 -0.052871
C 3.865042 -1.696014 -1.408744
C 5.954544 -2.804228 -0.849339
C 3.614871 1.756954 0.016242
C -3.254202 2.035962 -0.782473
C -2.977008 1.475255 1.565386
C -1.115463 2.325103 0.290619
C 4.270672 -4.028558 -2.243516
C 7.702680 -1.653096 0.544147
C -1.916333 2.416720 -0.862747
C -1.633480 1.854673 1.506934
C 2.720953 3.631500 -1.415588
C -4.885554 -1.624629 0.605151
C 3.943931 4.483370 -1.393175
C -5.116250 -2.970256 0.216657
C -4.439037 -3.974070 0.900639
C -3.376181 -2.294607 2.262692
C -3.556445 -3.645379 1.939000
H 2.640686 3.531644 0.759904
H 5.873047 0.335292 0.506793
H 2.897508 -1.707014 -1.900945
H 6.597610 -3.677322 -0.913859
H 2.492361 0.415487 -1.124827
H -3.894288 2.116254 -1.670343
H -3.397313 1.103545 2.510891
H -1.496090 2.785794 -1.799285
H -1.002891 1.787808 2.392129
H 4.266194 -4.919840 -1.599273
H 4.955980 -4.236607 -3.078521
H 3.263740 -3.933910 -2.669624
H 7.593209 -1.472312 1.624031
H 8.260155 -2.590876 0.427350
H 8.337218 -0.846053 0.148253
H -6.163566 -0.790273 -0.800713
H 3.736344 5.465931 -0.939935
H 4.778892 4.042247 -0.820544
H 4.312171 4.682731 -2.412790
H -5.806181 -3.207440 -0.586008
H -4.596066 -5.019441 0.630039
H -2.697619 -1.984299 3.066975
H -3.026109 -4.420023 2.483268


%chk=000281427-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281427

0 1
S -4.968185 0.209667 -0.793472
O -5.035711 0.077636 -2.415390
O -6.094256 1.032357 0.027902
O 5.043564 2.126876 0.805438
O 2.433275 4.226208 -1.696171
N 3.675964 0.774183 -0.570546
N -4.917898 -1.596964 -0.323496
N 1.499269 2.169683 -0.080921
N 0.485802 2.476043 0.666172
N -4.792715 -1.186450 1.993308
C 4.526752 -0.313306 -0.920968
C 4.744687 -2.427853 -2.157807
C 6.652215 -1.528853 -0.866449
C -3.254068 0.852927 -0.333581
C 2.744128 2.850326 0.330804
C 5.864850 -0.416798 -0.473707
C 3.971918 -1.317784 -1.759897
C 6.087202 -2.520191 -1.701775
C 3.949172 1.865888 0.221858
C -2.283957 0.855534 -1.352247
C -3.054086 1.360966 0.958493
C -0.764292 1.886522 0.261217
C 4.159076 -3.505724 -3.054046
C 8.089608 -1.639500 -0.386702
C -1.014594 1.379792 -1.044221
C -1.783830 1.899028 1.248020
C 3.032188 4.080556 -0.606617
C -5.160055 -2.033891 0.986389
C 4.067613 5.044537 -0.066185
C -5.707072 -3.328645 1.226363
C -5.843968 -3.754883 2.560645
C -4.958960 -1.614231 3.276196
C -5.467534 -2.886632 3.614818
H 2.697438 3.220686 1.373491
H 6.279382 0.362438 0.170363
H 2.932813 -1.227520 -2.102807
H 6.698045 -3.379647 -2.006048
H 2.704938 0.759708 -0.920950
H -2.533511 0.484478 -2.351382
H -3.858523 1.321161 1.696923
H -0.223935 1.429398 -1.798548
H -1.558918 2.325346 2.230127
H 4.163876 -4.490544 -2.550153
H 4.746235 -3.614338 -3.985055
H 3.117264 -3.278240 -3.337970
H 8.141199 -1.663226 0.717849
H 8.575535 -2.553583 -0.768762
H 8.689447 -0.771685 -0.718945
H -5.284854 -2.139307 -1.117376
H 3.620487 5.635867 0.756858
H 4.924608 4.493065 0.361233
H 4.395904 5.731484 -0.861276
H -6.007267 -3.972774 0.393606
H -6.253482 -4.747463 2.775523
H -4.668376 -0.900505 4.055250
H -5.572910 -3.180120 4.662629


