%chk=000274298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274298

0 1
S 3.661835 2.883320 0.003024
S -3.662014 2.883073 -0.002954
O 4.702262 -1.823621 -0.001287
O -4.702126 -1.823937 0.001353
O 2.450200 -1.647273 -0.001107
O -2.450076 -1.647438 0.001119
N 5.136521 0.848101 0.001875
N -5.136563 0.847756 -0.001801
N 5.246539 2.082867 0.003023
N -5.246664 2.082515 -0.002937
C 1.397080 1.294676 0.000640
C -1.397153 1.294582 -0.000637
C 0.697146 1.277147 1.218449
C -0.698331 1.277097 1.217811
C 0.698259 1.277968 -1.217820
C -0.697217 1.277925 -1.218458
C 2.853555 1.343374 0.001318
C -2.853631 1.343182 -0.001284
C 3.800810 0.342450 0.000836
C -3.800819 0.342194 -0.000786
C 3.537156 -1.113550 -0.000572
C -3.537067 -1.113788 0.000611
C 4.567084 -3.294390 -0.002680
C -4.566849 -3.294697 0.002727
C 6.001531 -3.772074 -0.003323
C -6.001264 -3.772477 0.003149
H 1.241153 1.251914 2.163813
H -1.243206 1.251828 2.162674
H 1.243134 1.253380 -2.162700
H -1.241219 1.253299 -2.163840
H 4.001976 -3.579173 0.901289
H 4.001733 -3.577455 -0.907037
H -4.001585 -3.579430 -0.901160
H -4.001616 -3.577735 0.907166
H 6.057118 -4.866941 -0.004316
H 6.547661 -3.401368 -0.882967
H 6.547915 -3.402952 0.876831
H -6.056778 -4.867348 0.004192
H -6.547568 -3.401761 0.882681
H -6.547523 -3.403439 -0.877116


%chk=000274298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274298

0 1
S 3.101100 2.068669 2.281219
S -3.110334 2.057829 -2.285185
O 5.125628 -1.616624 -0.324612
O -5.119480 -1.634044 0.321472
O 3.114243 -1.108056 -1.385722
O -3.121875 -1.100398 1.396213
N 5.044108 0.526147 1.250910
N -5.049096 0.511328 -1.255171
N 5.047107 1.385071 2.170310
N -5.051744 1.368640 -2.176922
C 1.354920 0.881199 0.450492
C -1.361474 0.877890 -0.451712
C 0.272528 0.897108 1.376521
C -1.061912 0.877767 0.939124
C 1.055164 0.871490 -0.940246
C -0.279323 0.887827 -1.377851
C 2.745027 0.944624 0.953512
C -2.751782 0.937643 -0.955037
C 3.885391 0.209242 0.528496
C -3.890435 0.199933 -0.530306
C 3.964721 -0.871077 -0.490798
C -3.967497 -0.876461 0.493398
C 5.332969 -2.723845 -1.313270
C -5.325474 -2.736987 1.315327
C 6.658555 -3.382746 -0.950274
C -6.647027 -3.403481 0.951539
H 0.482848 0.903282 2.451230
H -1.870138 0.865327 1.671161
H 1.863183 0.854509 -1.672401
H -0.489622 0.886953 -2.452575
H 4.475479 -3.416760 -1.239802
H 5.336624 -2.284477 -2.327341
H -4.464858 -3.426646 1.247722
H -5.333885 -2.292552 2.327123
H 6.867490 -4.209855 -1.652921
H 7.487571 -2.657521 -1.008204
H 6.627456 -3.793869 0.072804
H -6.853940 -4.228658 1.657048
H -7.479556 -2.681899 1.004250
H -6.611264 -3.818723 -0.069724


