%chk=000256162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256162

0 1
S 4.531801 0.228564 -0.343246
O 3.273209 -0.443047 -1.277805
O 3.639491 0.554873 1.088720
O -3.227506 2.424646 -0.401490
O -3.549794 -2.161473 -0.058115
O 4.803728 1.524448 -0.905969
N 0.717684 0.054905 0.388029
N -1.444730 -1.283551 0.168069
N -3.385238 0.150190 -0.205972
N -0.200153 2.129257 0.061577
C 1.751999 -0.967353 0.616557
C -0.654435 -0.135997 0.176256
C 2.417031 -1.412188 -0.706522
C 2.816871 -0.466126 1.617062
C -1.208276 1.156974 -0.008403
C 0.938506 1.480222 0.282769
C -2.621410 1.398909 -0.222205
C -2.870940 -1.150252 -0.041356
C -0.884768 -2.651753 0.210973
C -4.863695 0.241696 -0.373390
H 1.250162 -1.872160 1.079550
H 2.979297 -2.354832 -0.561281
H 1.659840 -1.561119 -1.510471
H 2.348084 0.027385 2.499893
H 3.443810 -1.306920 1.970712
H 1.935620 1.901252 0.389725
H -0.407949 -2.918870 -0.747107
H -1.708565 -3.381550 0.385317
H -0.162422 -2.756686 1.039899
H -5.362825 0.228663 0.610005
H -5.243187 -0.603958 -0.973184
H -5.121340 1.189351 -0.884496


%chk=000256162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256162

0 1
S 4.680111 0.211793 -0.406722
O 3.160783 -0.288190 -1.437240
O 3.689027 0.608418 1.169957
O -3.223022 2.481314 -0.408750
O -3.613879 -2.184794 -0.036267
O 5.030901 1.658360 -0.959806
N 0.696318 0.056434 0.379848
N -1.460946 -1.279400 0.193783
N -3.385621 0.134803 -0.214665
N -0.205553 2.136801 0.034587
C 1.762823 -0.951716 0.562867
C -0.683931 -0.123339 0.193205
C 2.408229 -1.376178 -0.784529
C 2.829913 -0.513903 1.599473
C -1.217221 1.165226 -0.008703
C 0.920204 1.458969 0.254280
C -2.635832 1.383739 -0.227127
C -2.873928 -1.157309 -0.023914
C -0.956071 -2.648271 0.408728
C -4.850504 0.213639 -0.429670
H 1.301694 -1.856106 0.993797
H 3.054598 -2.265602 -0.617571
H 1.634928 -1.637772 -1.527840
H 2.348608 -0.136102 2.518270
H 3.449451 -1.397763 1.861128
H 1.916011 1.880230 0.348517
H -0.180349 -2.912724 -0.331943
H -1.817602 -3.320529 0.271580
H -0.571455 -2.783376 1.436149
H -5.383155 -0.219798 0.432232
H -5.132375 -0.351006 -1.333409
H -5.102256 1.277655 -0.546142


