%chk=000266232.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266232

0 1
S 2.338742 1.649003 -0.775696
O 3.296083 1.756317 -2.084346
O 2.365004 2.722274 0.441079
O -3.642936 -1.548584 -1.300554
O -4.177881 -1.361118 0.928643
N 0.539981 1.748861 -1.523386
C -0.533498 1.430740 -0.649199
C -1.352039 0.266829 -0.848741
C -2.458463 0.100376 0.039939
C -0.783128 2.344572 0.410233
C -1.836729 2.130280 1.323316
C 2.577430 -0.066546 -0.013810
C -2.665145 1.004847 1.119203
C -0.978525 -0.706869 -1.953751
C 3.158433 -1.065599 -0.811102
C 2.173642 -0.273002 1.316356
C -2.105665 3.106316 2.454225
C 2.935001 -2.611439 1.100315
C 3.336100 -2.343848 -0.235372
C 2.355816 -1.561112 1.863386
C -3.478618 -0.994781 -0.027869
C 3.138474 -3.983807 1.715101
C -4.699660 -2.585340 -1.403423
H 0.607284 1.180344 -2.384812
H -0.135047 3.222636 0.496036
H -3.505585 0.806804 1.793190
H -1.259825 -0.316347 -2.951711
H 0.112421 -0.895536 -1.958009
H -1.494325 -1.667836 -1.840034
H 3.487547 -0.840453 -1.831086
H 1.752869 0.548328 1.904594
H -1.188040 3.643623 2.748786
H -2.851501 3.866547 2.152220
H -2.506253 2.590897 3.344741
H 3.797785 -3.139738 -0.830518
H 2.047801 -1.751164 2.898048
H 2.203638 -4.364665 2.165196
H 3.480793 -4.718909 0.967555
H 3.895352 -3.947917 2.521311
H -4.691335 -2.886997 -2.460306
H -5.676149 -2.160808 -1.117205
H -4.469547 -3.436478 -0.740844


%chk=000266232-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266232

0 1
S 2.337412 1.648332 -0.773542
O 3.295407 1.758516 -2.081465
O 2.361795 2.719882 0.444804
O -3.639927 -1.545621 -1.299349
O -4.185383 -1.368524 0.948573
N 0.538876 1.747352 -1.522065
C -0.535048 1.431939 -0.647301
C -1.353639 0.267218 -0.843257
C -2.459224 0.102932 0.045126
C -0.785135 2.348855 0.409265
C -1.838819 2.136796 1.322650
C 2.577495 -0.068175 -0.014245
C -2.666727 1.010166 1.121607
C -0.981212 -0.711088 -1.944433
C 3.162500 -1.064579 -0.811929
C 2.170410 -0.278063 1.314395
C -2.108336 3.116066 2.450639
C 2.936685 -2.614671 1.095783
C 3.340923 -2.343655 -0.238263
C 2.353451 -1.566947 1.859350
C -3.478394 -0.994872 -0.021225
C 3.141257 -3.987835 1.708437
C -4.693145 -2.585051 -1.408498
H 0.606042 1.176345 -2.381829
H -0.137293 3.227311 0.492702
H -3.507023 0.813669 1.796254
H -1.260588 -0.323394 -2.944035
H 0.109263 -0.902364 -1.946855
H -1.499619 -1.670542 -1.827746
H 3.493806 -0.836802 -1.830616
H 1.746420 0.541233 1.903162
H -1.189625 3.649913 2.748143
H -2.849472 3.879054 2.144021
H -2.514972 2.604048 3.340371
H 3.805698 -3.137504 -0.833737
H 2.042946 -1.759627 2.892784
H 2.206760 -4.370177 2.157962
H 3.484230 -4.721478 0.959753
H 3.898135 -3.952556 2.514685
H -4.666653 -2.898385 -2.461641
H -5.675018 -2.158488 -1.144209
H -4.473961 -3.428528 -0.732529


