%chk=000188920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188920

0 1
S 0.086731 1.214416 -0.421308
S -3.364355 -1.529803 0.251234
P 5.868755 1.171591 0.236778
O 5.162374 -0.180168 -0.415797
O 6.077039 0.649576 1.782588
O 7.343253 0.918787 -0.405471
O 5.244786 2.481515 0.078849
N -0.242312 -1.337928 0.100498
N -3.020443 1.022187 -0.255964
C 1.519460 0.235769 -0.282141
C 1.149153 -1.110141 -0.000015
C -0.918407 -0.230468 -0.093988
C -2.350881 -0.089913 -0.066251
C -4.792267 -0.542499 0.114562
C -4.417025 0.802416 -0.160227
C 2.851058 0.622961 -0.413622
C 2.139508 -2.103419 0.156575
C 3.800761 -0.385655 -0.243776
C 3.468826 -1.734694 0.037117
C -6.131403 -0.909949 0.236668
C -5.403045 1.794706 -0.314969
C -7.097201 0.082058 0.081246
C -6.735258 1.418720 -0.191464
H 3.119547 1.659496 -0.644187
H 1.845282 -3.132882 0.369044
H 4.275483 -2.459710 0.148303
H -6.414099 -1.940161 0.446849
H -5.110220 2.823145 -0.525503
H -8.153280 -0.172796 0.170688
H -7.520759 2.166265 -0.306523
H 5.830789 1.259221 2.523109
H 7.674449 -0.026143 -0.418100


%chk=000188920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188920

0 1
S 0.062790 1.283578 -0.375456
S -3.409234 -1.651861 0.222494
P 6.005451 1.213863 0.274410
O 5.213115 -0.200831 -0.343161
O 6.122143 0.792162 1.938852
O 7.523936 0.884829 -0.415006
O 5.432811 2.658893 -0.013793
N -0.267122 -1.365956 0.073117
N -3.066417 0.993897 -0.229532
C 1.511535 0.210483 -0.241178
C 1.115143 -1.151583 -0.005601
C -0.950134 -0.244460 -0.091083
C -2.390630 -0.132203 -0.063795
C -4.855442 -0.570237 0.088717
C -4.451865 0.789039 -0.150744
C 2.865281 0.579614 -0.351758
C 2.104297 -2.157818 0.127148
C 3.817462 -0.451499 -0.201124
C 3.459316 -1.803637 0.035823
C -6.215646 -0.921970 0.190723
C -5.432572 1.802878 -0.288289
C -7.178626 0.102084 0.050765
C -6.790443 1.450772 -0.186341
H 3.177927 1.609776 -0.547909
H 1.795004 -3.190770 0.307049
H 4.252457 -2.547766 0.145433
H -6.525998 -1.955157 0.372701
H -5.112801 2.832796 -0.470407
H -8.241939 -0.149302 0.126485
H -7.560461 2.222190 -0.290513
H 6.109846 1.568073 2.556468
H 7.667113 -0.063375 -0.669695


