%chk=000200995.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200995

0 1
S -2.580872 -0.120948 -0.421930
S 4.043171 1.868916 1.065477
P 4.303121 0.228840 0.159545
O -3.206924 -0.246728 -1.723253
O -2.928530 -1.050841 0.639575
O 3.253263 -0.088241 -1.092577
O 4.176846 -1.171648 1.009729
O 5.719473 -0.020669 -0.627201
N -2.916316 1.469551 0.149786
C -5.374459 1.913112 0.615829
C -4.173753 2.106512 -0.323766
C -5.909671 0.475668 0.626494
C -0.861564 -0.102608 -0.584435
C -7.201507 0.362901 1.432429
C -0.261388 0.667367 -1.588936
C -0.077843 -0.873185 0.283191
C 1.889190 -0.085056 -0.834769
C 1.126032 0.687915 -1.723677
C 1.312463 -0.876354 0.168427
C 5.001379 -1.247859 2.202245
C 6.173511 1.070608 -1.470107
H -6.182232 2.604835 0.301563
H -5.111435 2.221234 1.645975
H -4.418797 1.736605 -1.349321
H -3.962198 3.196846 -0.432013
H -5.148482 -0.216238 1.049110
H -6.083451 0.126484 -0.411459
H -2.776881 1.632474 1.156033
H -7.561555 -0.673009 1.447860
H -8.000758 0.981031 1.009473
H -7.057567 0.672301 2.473520
H -0.878389 1.258720 -2.274678
H -0.559030 -1.487224 1.057201
H 1.618956 1.279029 -2.493197
H 1.922893 -1.496632 0.830011
H 6.067311 -1.232139 1.942390
H 4.728559 -2.237693 2.601246
H 4.737584 -0.465491 2.926763
H 7.141530 0.687447 -1.829696
H 6.324187 1.994400 -0.895482
H 5.491433 1.216268 -2.317174


%chk=000200995-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200995

0 1
S -2.716117 -0.169652 -0.274869
S 4.252241 1.965626 1.201679
P 4.478214 0.220013 0.137087
O -3.394032 -0.167522 -1.758369
O -3.056206 -1.316191 0.841324
O 3.282976 -0.172437 -1.076697
O 4.493145 -1.271623 0.997387
O 5.894875 0.032936 -0.817512
N -3.031794 1.547450 0.449499
C -5.565567 1.994921 0.610943
C -4.227342 2.232603 -0.124534
C -6.119060 0.554617 0.504342
C -0.850366 -0.153984 -0.494695
C -7.481937 0.401088 1.213291
C -0.319462 0.456003 -1.643512
C -0.065680 -0.779788 0.486921
C 1.890324 -0.153825 -0.819435
C 1.080984 0.458855 -1.803016
C 1.334871 -0.784756 0.317702
C 5.397991 -1.390543 2.169286
C 6.391600 1.190148 -1.600854
H -6.310261 2.699630 0.186072
H -5.454057 2.274755 1.680756
H -4.304509 1.914668 -1.183183
H -3.971670 3.310521 -0.124321
H -5.398733 -0.167132 0.938660
H -6.216903 0.282112 -0.564792
H -3.120365 1.369933 1.470344
H -7.859427 -0.633895 1.128366
H -8.241163 1.075865 0.773662
H -7.401269 0.642571 2.290459
H -0.979126 0.902834 -2.393310
H -0.540462 -1.275093 1.339732
H 1.553474 0.923426 -2.672596
H 1.988595 -1.283236 1.039793
H 6.446168 -1.447706 1.830696
H 5.098941 -2.330856 2.654222
H 5.257390 -0.538150 2.858930
H 7.426196 0.924844 -1.862242
H 6.370929 2.113974 -0.993732
H 5.783892 1.313500 -2.513284


