%chk=000262309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262309

0 1
S 2.018263 -1.349730 -0.584088
O 1.072375 -0.522140 0.560849
O 1.706417 -0.950198 -1.921913
O 1.917956 -2.736941 -0.216341
O 3.525734 2.724081 -0.831711
O 1.948223 1.233987 -0.919005
N 3.085475 1.599736 -0.683697
C 3.593129 -0.778769 -0.064937
C -3.043147 -0.085606 0.214865
C -0.297381 -0.413221 0.382471
C -4.508971 0.088746 0.124153
C 4.016330 0.552960 -0.156912
C -2.224925 0.259301 -0.875177
C -2.467389 -0.594924 1.391257
C -0.841753 0.099296 -0.801428
C -1.086251 -0.766326 1.485815
C 4.473040 -1.725611 0.458292
C 5.294196 0.945527 0.245152
C -5.052276 1.353015 -0.155220
C -5.362870 -1.009105 0.316841
C 5.761685 -1.347544 0.870502
C 6.171439 -0.019581 0.761739
C -6.437488 1.514606 -0.238597
C -6.747036 -0.840724 0.229213
C -7.286574 0.419699 -0.047386
H -2.674508 0.652809 -1.787852
H -3.103998 -0.855268 2.237167
H -0.194034 0.374139 -1.641564
H -0.619356 -1.156818 2.387002
H 4.160578 -2.777226 0.554030
H 5.601969 1.994411 0.157112
H -4.392388 2.206976 -0.300255
H -4.943849 -1.992001 0.526146
H 6.439728 -2.101108 1.277602
H 7.173837 0.277675 1.079129
H -6.856197 2.496506 -0.453039
H -7.406764 -1.694354 0.375622
H -8.364819 0.548127 -0.114335


%chk=000262309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262309

0 1
S 2.082061 -1.571266 -0.315290
O 0.924291 -0.405537 1.043694
O 1.639313 -1.477479 -1.880665
O 2.225729 -3.068105 0.322595
O 3.895893 2.577380 -1.536118
O 2.109502 1.220086 -1.136183
N 3.363783 1.497459 -1.072143
C 3.827707 -0.773641 -0.008111
C -3.218128 -0.038385 0.342060
C -0.403336 -0.320190 0.762320
C -4.679442 0.115091 0.131861
C 4.255860 0.512205 -0.404890
C -2.285833 0.826512 -0.312502
C -2.702225 -1.061396 1.199872
C -0.905367 0.689295 -0.123499
C -1.325645 -1.215498 1.397820
C 4.708776 -1.643360 0.656322
C 5.584820 0.923189 -0.149080
C -5.246157 1.385647 -0.178688
C -5.557724 -1.003024 0.234354
C 6.034638 -1.228885 0.919197
C 6.471338 0.052127 0.513831
C -6.634063 1.532627 -0.375201
C -6.944948 -0.856916 0.033206
C -7.491728 0.412150 -0.271202
H -2.654481 1.585121 -1.010684
H -3.396683 -1.717076 1.735369
H -0.187463 1.328475 -0.645441
H -0.924686 -1.990275 2.059302
H 4.346061 -2.634123 0.951853
H 5.887486 1.922254 -0.474515
H -4.601311 2.269562 -0.232154
H -5.148040 -1.998839 0.435497
H 6.718584 -1.909271 1.436249
H 7.497606 0.374250 0.715393
H -7.048610 2.521000 -0.601566
H -7.598998 -1.732774 0.104521
H -8.570179 0.526011 -0.425880


