%chk=000211659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211659

0 1
S 4.409415 -1.261878 0.792958
S -4.180749 -0.849200 -0.159212
S 2.733346 -3.484651 -0.235304
S -2.552116 -3.281086 -0.724552
O 1.521646 1.148107 0.520820
O -1.250920 1.014352 0.988300
O 5.481550 1.710180 0.665380
O -5.532503 1.280466 -0.585924
O 3.684368 1.670643 -0.721657
O -3.967448 2.880821 -0.961582
N 1.822349 -1.171570 0.804672
N -1.619202 -0.767089 -0.516848
C 2.165629 0.192433 1.347083
C -1.925201 0.685466 -0.218966
C 0.393402 -1.573076 0.703095
C -0.204203 -1.191826 -0.670877
C 3.714478 0.332895 1.317144
C -3.418287 0.770749 0.175912
C 1.579318 0.420494 2.731754
C -1.480024 1.566182 -1.370965
C 2.829414 -2.007907 0.424594
C -2.636939 -1.672321 -0.479686
C 4.242744 1.298959 0.291912
C -4.263509 1.793240 -0.530504
C 6.232630 2.578172 -0.259727
C -6.592019 2.101692 -1.184100
C 6.774216 1.752636 -1.402644
C -7.015435 3.182031 -0.213976
H 0.299511 -2.676630 0.865971
H -0.179834 -1.084611 1.529292
H 0.372079 -0.370279 -1.150519
H -0.148042 -2.064916 -1.370286
H 4.106406 0.590870 2.335795
H -3.466643 0.981025 1.286669
H 1.828707 1.422137 3.110281
H 1.929541 -0.323447 3.459785
H 0.474471 0.368366 2.717616
H -1.761318 2.622173 -1.193396
H -1.952244 1.278395 -2.321946
H -0.395117 1.544894 -1.528933
H 1.929235 1.233761 -0.399955
H -0.302321 1.306350 0.829202
H 7.015331 2.956747 0.424211
H 5.563513 3.391917 -0.590462
H -6.220023 2.504583 -2.142307
H -7.367870 1.331077 -1.352837
H 7.309416 0.861547 -1.045574
H 5.968732 1.398543 -2.064928
H 7.472608 2.331373 -2.020799
H -7.907699 3.712082 -0.570061
H -6.221969 3.932125 -0.076408
H -7.248822 2.769206 0.776388


%chk=000211659-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211659

0 1
S 4.272035 -0.959845 1.762129
S -3.929947 -1.293591 -1.765504
S 2.862149 -3.492550 0.750678
S -1.817268 -3.501668 -2.173514
O 1.163770 1.338949 0.663169
O -1.501205 0.940804 0.432894
O 5.217868 1.943809 0.720049
O -5.436176 1.338339 -0.005598
O 3.380056 1.619809 -0.667445
O -4.275210 2.226247 -1.824131
N 1.708624 -0.997770 1.050048
N -1.393986 -1.007515 -1.052874
C 1.846304 0.413551 1.565364
C -1.944517 0.402053 -0.831371
C 0.366012 -1.491680 0.666873
C 0.042502 -1.250693 -0.839755
C 3.385778 0.730827 1.646062
C -3.471064 0.185894 -0.640562
C 1.185054 0.570658 2.943312
C -1.517312 1.280721 -2.023175
C 2.785874 -1.846833 1.120848
C -2.214877 -1.947488 -1.627432
C 3.966800 1.466797 0.447213
C -4.382723 1.367332 -0.919665
C 5.979340 2.590860 -0.410670
C -6.475905 2.407088 -0.150841
C 6.691513 1.526422 -1.245150
C -6.063868 3.665779 0.616700
H 0.330029 -2.571689 0.889581
H -0.387903 -0.972490 1.278113
H 0.615216 -0.382461 -1.209435
H 0.326381 -2.132136 -1.440398
H 3.618074 1.283107 2.568093
H -3.630804 -0.149673 0.395288
H 1.275068 1.618560 3.274757
H 1.672341 -0.090822 3.679702
H 0.111983 0.325089 2.893248
H -1.833496 2.321878 -1.863255
H -1.981836 0.922567 -2.956608
H -0.418856 1.250923 -2.141688
H 1.772546 1.498496 -0.134276
H -0.532218 1.233979 0.413782
H 6.681496 3.255010 0.115736
H 5.265230 3.179567 -1.011677
H -6.614588 2.616495 -1.226029
H -7.381463 1.941211 0.268706
H 7.350794 0.904750 -0.616529
H 5.968778 0.873092 -1.761403
H 7.313163 2.023138 -2.012482
H -6.878760 4.411762 0.569045
H -5.158553 4.115867 0.176357
H -5.868644 3.433675 1.677620


