%chk=000268844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268844

0 1
S -1.535556 0.569454 1.379821
S 3.352700 -1.940313 -0.431037
O -0.597973 1.221877 0.466008
O -1.499738 0.893769 2.791370
O 2.997661 -2.570349 -1.681456
O 4.540367 -2.378436 0.265582
N -1.325986 -1.143732 1.215445
N 1.986913 -2.253346 0.616213
C -0.640601 -1.795679 2.367997
C -0.848294 -1.542869 -0.144669
C -3.131752 0.810893 0.767678
C 0.765806 -1.334280 2.593314
C -0.251213 -2.917296 -0.188669
C 1.851687 -1.535762 1.829598
C 1.012566 -3.206080 0.148900
C 3.376438 -0.229177 -0.551540
C -4.241730 0.436299 1.533086
C -3.318223 1.393306 -0.490547
C -5.722713 1.212789 -0.226068
C -5.531857 0.633158 1.041132
C -4.605288 1.593667 -0.989298
C 4.613232 0.432346 -0.552470
C 2.197575 0.522215 -0.645657
C 3.487129 2.574599 -0.727807
C 4.672988 1.821070 -0.647487
C 2.248279 1.912203 -0.722505
C -7.105476 1.423856 -0.744245
C 3.533958 4.062729 -0.810893
H -0.681502 -2.901768 2.236747
H -1.259519 -1.578224 3.274690
H -0.092854 -0.806377 -0.548768
H -1.737972 -1.497605 -0.817835
H 0.885227 -0.743940 3.508230
H -0.922682 -3.706207 -0.530140
H 2.813842 -1.096601 2.154713
H 1.425378 -4.219885 0.044679
H -4.102368 -0.007667 2.524137
H -2.449562 1.700447 -1.085184
H -6.391923 0.340248 1.640330
H -4.742211 2.048227 -1.968468
H 5.542467 -0.143104 -0.466813
H 1.205445 0.034454 -0.636499
H 5.638729 2.322483 -0.650897
H 1.309424 2.473158 -0.744920
H -7.690417 0.491963 -0.727977
H -7.651936 2.155383 -0.128736
H -7.126256 1.796548 -1.777230
H 2.981458 4.524416 0.022943
H 4.554614 4.465871 -0.783104
H 3.067318 4.425267 -1.739492


%chk=000268844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268844

0 1
S -3.099272 0.803807 2.079055
S 2.971004 -1.303288 -0.409206
O -2.965234 2.402301 1.744561
O -2.788401 0.238504 3.579729
O 2.856940 -2.279725 -1.722929
O 3.013297 -1.910854 1.114204
N -2.008463 -0.283321 0.877941
N 1.318643 0.147871 -0.637904
C -0.726972 -0.645711 1.596497
C -1.815561 0.488374 -0.409420
C -4.821793 0.261981 1.554902
C 0.289187 0.473010 1.620952
C -1.023100 -0.388695 -1.350224
C 1.145339 0.803440 0.596272
C 0.344312 -0.545478 -1.361369
C 4.480926 -0.206173 -0.616900
C -5.273418 -1.010241 1.943551
C -5.600841 1.171147 0.824938
C -7.409191 -0.507788 0.812169
C -6.577726 -1.386184 1.561165
C -6.905252 0.769119 0.454618
C 5.144231 0.227589 0.541328
C 4.893840 0.128222 -1.917936
C 6.744030 1.417299 -0.913728
C 6.285859 1.045071 0.376598
C 6.035594 0.944988 -2.053053
C -8.813560 -0.930662 0.421744
C 7.972937 2.291145 -1.084086
H -0.340564 -1.543496 1.085497
H -1.016029 -0.928193 2.622837
H -1.324673 1.466465 -0.238504
H -2.821278 0.679262 -0.820997
H 0.287498 1.131703 2.499824
H -1.585384 -0.965090 -2.091988
H 1.837593 1.644566 0.734922
H 0.788720 -1.222964 -2.105529
H -4.633700 -1.675941 2.530793
H -5.204685 2.161403 0.576215
H -6.957058 -2.373692 1.848725
H -7.537495 1.459670 -0.114602
H 4.793562 -0.084534 1.530450
H 4.353232 -0.253230 -2.789657
H 6.827130 1.392857 1.263535
H 6.383243 1.218009 -3.056246
H -8.807546 -1.899552 -0.110501
H -9.452791 -1.056225 1.315940
H -9.296066 -0.186244 -0.233533
H 7.734995 3.209990 -1.651453
H 8.395641 2.593916 -0.111574
H 8.763901 1.759571 -1.645425


