%chk=000220992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220992

0 1
S 0.036782 2.440609 0.229028
O -1.634196 1.560486 2.591188
O 0.971579 1.189386 -2.170329
O -5.078803 -1.511396 -2.040614
O 5.616084 -1.190086 1.841727
N -4.856875 -0.974290 0.196535
N 4.830951 -1.077883 -0.328713
C -1.358509 1.399774 0.177612
C 1.398747 1.352447 0.130024
C -3.674219 -0.177736 0.152175
C 3.680646 -0.258350 -0.138519
C -2.040187 1.106736 1.372459
C 1.782765 0.848970 -1.123977
C -1.850541 0.894027 -1.028595
C 2.166445 1.031231 1.249517
C -3.201610 0.321042 1.380963
C 2.917381 0.044601 -1.287353
C -3.000006 0.108263 -1.052584
C 3.304977 0.234545 1.125412
C -5.497575 -1.596912 -0.906769
C 5.740950 -1.503020 0.678842
C -6.732614 -2.363822 -0.523590
C 6.852324 -2.365240 0.151129
H -1.319213 1.114943 -1.961495
H 1.881669 1.407285 2.235476
H -3.695565 0.121782 2.326386
H 3.191900 -0.330001 -2.264672
H -3.377179 -0.284231 -2.001510
H 3.901319 -0.006368 2.011904
H -5.268256 -1.099250 1.125807
H 5.002975 -1.382765 -1.290176
H -0.813959 2.136384 2.532357
H 1.304726 0.834924 -3.035176
H -6.521466 -3.183572 0.175993
H -7.180633 -2.820765 -1.423121
H -7.505116 -1.724055 -0.076078
H 6.487124 -3.295806 -0.304004
H 7.520290 -2.659446 0.980157
H 7.477587 -1.845944 -0.587617


%chk=000220992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220992

0 1
S 0.023926 2.638710 0.231707
O -1.391084 1.232471 2.578224
O 0.930140 1.026243 -2.203450
O -5.409036 -1.257445 -2.170817
O 5.832860 -1.031794 1.926246
N -4.837385 -1.051510 0.100870
N 4.834277 -1.119273 -0.199745
C -1.429424 1.493138 0.126950
C 1.449432 1.462459 0.115500
C -3.701371 -0.193989 0.057415
C 3.723155 -0.245214 -0.043550
C -1.956229 0.953725 1.334615
C 1.762057 0.798767 -1.099416
C -2.059032 1.192130 -1.096952
C 2.294865 1.263932 1.226813
C -3.084395 0.111241 1.297216
C 2.885489 -0.053161 -1.174811
C -3.190320 0.353016 -1.152681
C 3.429037 0.427691 1.171012
C -5.619464 -1.533202 -0.954466
C 5.811260 -1.471478 0.741931
C -6.768685 -2.434890 -0.497960
C 6.859355 -2.443700 0.198651
H -1.641652 1.613508 -2.015161
H 2.064552 1.783089 2.163288
H -3.465013 -0.288506 2.244034
H 3.113134 -0.566054 -2.120535
H -3.676133 0.116112 -2.099318
H 4.072792 0.284540 2.038923
H -5.114158 -1.357607 1.037004
H 4.933218 -1.547114 -1.123540
H -0.646350 1.886470 2.434119
H 1.230147 0.504344 -2.988820
H -6.394546 -3.316364 0.055324
H -7.315710 -2.780942 -1.386357
H -7.469855 -1.888170 0.159656
H 6.396230 -3.392028 -0.131951
H 7.579603 -2.663833 0.999186
H 7.405014 -2.008817 -0.659357


