%chk=000248098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248098

0 1
S -5.613907 0.050228 0.292550
O 0.739648 2.041112 -1.142860
O 4.546325 2.138519 1.480563
O -6.049076 -0.768282 1.408378
O -6.167819 1.371609 0.073327
N 3.361737 2.206428 -0.461265
N 0.319864 0.264433 0.275346
N -6.013124 -0.853282 -1.119128
C 2.669353 0.938863 -0.165530
C 3.185502 -0.195510 -1.076172
C 2.739726 -1.543481 -0.582382
C 1.158989 1.164545 -0.415362
C -1.104654 0.252273 0.243429
C 3.302491 -2.082876 0.585296
C 1.758702 -2.265332 -1.277671
C -3.898474 0.128249 0.274579
C 4.269805 2.750220 0.463623
C -1.756499 -0.793316 0.939730
C -1.855842 1.233319 -0.430200
C -3.146593 -0.842501 0.949307
C -3.246581 1.163864 -0.406147
C 2.884499 -3.331487 1.051000
C 1.344912 -3.515169 -0.807378
C 1.904240 -4.049282 0.357212
C 4.848000 4.076821 0.074268
H 2.863511 0.672508 0.917259
H 4.298856 -0.156049 -1.102811
H 2.874342 -0.023376 -2.126866
H 3.045100 2.716076 -1.285817
H 0.762213 -0.502710 0.800234
H 4.074245 -1.532431 1.124714
H 1.318285 -1.857748 -2.186641
H -1.184929 -1.553946 1.467195
H -1.354192 2.045991 -0.968022
H -3.655865 -1.644479 1.498495
H -3.832149 1.936749 -0.919624
H 3.327317 -3.748842 1.955111
H 0.585360 -4.074354 -1.353111
H 1.582502 -5.023913 0.720390
H 4.081903 4.862364 0.005664
H 5.379263 4.042002 -0.886481
H 5.577367 4.406388 0.834278
H -6.496265 -0.371144 -1.873621
H -6.429387 -1.773150 -0.994859


%chk=000248098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248098

0 1
S -5.874570 -0.106533 0.138070
O 0.622693 2.530388 -0.616041
O 5.180895 1.513316 0.690024
O -6.266876 -1.293890 1.182253
O -6.492185 1.399345 0.216520
N 3.255083 2.322265 -0.308043
N 0.184800 0.348541 0.144254
N -6.270433 -0.795298 -1.528711
C 2.526529 1.082097 -0.051125
C 2.996199 -0.088763 -0.997637
C 2.743470 -1.468693 -0.407762
C 1.022655 1.398818 -0.201029
C -1.233541 0.297998 0.111468
C 3.471118 -1.875031 0.745221
C 1.799924 -2.367262 -0.971259
C -4.006633 0.050443 0.110695
C 4.562417 2.467412 0.113657
C -1.841786 -0.937425 0.474421
C -2.039406 1.415487 -0.242208
C -3.241233 -1.069471 0.475163
C -3.443188 1.286016 -0.240968
C 3.254482 -3.146269 1.319677
C 1.583736 -3.642987 -0.396648
C 2.308145 -4.034035 0.752682
C 5.207381 3.820220 -0.154654
H 2.742968 0.762617 0.988594
H 4.083376 0.056316 -1.121626
H 2.520466 0.023592 -1.988744
H 2.704843 3.096813 -0.696192
H 0.654682 -0.527743 0.401742
H 4.219314 -1.192975 1.169235
H 1.244972 -2.073946 -1.871468
H -1.216023 -1.792780 0.756103
H -1.563073 2.359766 -0.509269
H -3.727374 -2.003780 0.771469
H -4.087146 2.137127 -0.484437
H 3.827680 -3.449123 2.202936
H 0.860451 -4.329887 -0.850439
H 2.144711 -5.022192 1.196640
H 5.567234 4.243283 0.798885
H 4.523827 4.541946 -0.633054
H 6.090223 3.680447 -0.802364
H -6.708400 -0.048664 -2.094332
H -6.893701 -1.607607 -1.381699


