%chk=000267961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267961

0 1
S -0.005680 4.192026 0.012332
S 2.600489 -1.990009 1.819864
S -2.597908 -1.986914 -1.828081
P 3.883749 -1.367297 0.555649
P -3.882422 -1.373038 -0.560830
O 4.321590 0.235752 0.734274
O -4.323798 0.229875 -0.731887
O 3.575515 -1.492448 -1.038506
O 5.377110 -2.018238 0.588912
O -3.573746 -1.505009 1.032692
O -5.374324 -2.027164 -0.597071
C 3.289113 1.159912 0.572149
C -3.293485 1.155530 -0.564517
C 1.321135 3.046317 0.244860
C -1.329848 3.044599 -0.226721
C 3.119089 1.740072 -0.693190
C -3.125316 1.729604 0.703845
C 2.530331 1.535354 1.688929
C -2.535058 1.538355 -1.679023
C 2.116705 2.699396 -0.850553
C -2.125124 2.690322 0.866557
C 1.530855 2.495194 1.511765
C -1.537804 2.499507 -1.496516
C 2.343067 -2.148905 -1.480406
C 6.083927 -1.943149 1.878102
C -2.340020 -2.161252 1.471365
C -6.081648 -1.946997 -1.885677
C 1.176405 -1.188785 -1.430625
C 7.395611 -2.637321 1.571354
C -1.175377 -1.198422 1.426605
C -7.391668 -2.645740 -1.582220
H 3.757294 1.438324 -1.523840
H -3.763190 1.422179 1.532666
H 2.711701 1.081490 2.663150
H -2.714997 1.089066 -2.655628
H 1.957096 3.164425 -1.825273
H -1.966951 3.150703 1.843715
H 0.916540 2.800605 2.360988
H -0.923816 2.810624 -2.343901
H 2.165117 -3.083265 -0.917337
H 2.638393 -2.396720 -2.523440
H 5.498080 -2.477081 2.651508
H 6.225191 -0.878185 2.146106
H -2.160057 -3.092335 0.903530
H -2.634921 -2.415042 2.513075
H -5.494786 -2.475569 -2.661991
H -6.225401 -0.880978 -2.148109
H 0.661425 -1.175815 -0.451854
H 1.482877 -0.158015 -1.656329
H 0.406864 -1.462040 -2.169493
H 7.232506 -3.680359 1.264857
H 7.916596 -2.146592 0.735888
H 8.064143 -2.635601 2.439617
H -0.660063 -1.179727 0.448105
H -1.484159 -0.169381 1.657036
H -0.405552 -1.473485 2.164495
H -7.226122 -3.690014 -1.281295
H -7.913499 -2.160611 -0.744015
H -8.060472 -2.640930 -2.450263


%chk=000267961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267961

0 1
S 0.021726 3.814031 0.381688
S 3.927557 -2.718307 1.421164
S -3.564955 -2.816981 -0.855260
P 5.009151 -1.433987 0.210529
P -4.956852 -1.410774 -0.244186
O 4.955593 0.284967 0.604298
O -4.739633 0.240440 -0.821427
O 4.698342 -1.461788 -1.478897
O 6.713543 -1.590984 0.169969
O -5.213616 -1.215942 1.444419
O -6.586900 -1.601675 -0.733107
C 3.754604 1.041881 0.539336
C -3.579991 1.002752 -0.508872
C 1.471573 2.674855 0.425426
C -1.367673 2.646529 0.042736
C 3.714075 2.112342 -0.379256
C -3.740128 2.118696 0.340067
C 2.669455 0.777503 1.408437
C -2.326525 0.696335 -1.086378
C 2.565843 2.933531 -0.432856
C -2.628465 2.944004 0.614807
C 1.528241 1.604199 1.349506
C -1.220026 1.527140 -0.809951
C 3.585069 -2.303794 -2.023692
C 7.459026 -1.502872 1.468837
C -4.367343 -1.968274 2.424473
C -6.878804 -1.679500 -2.202005
C 2.275318 -1.516742 -2.068395
C 8.904990 -1.858220 1.142081
C -3.119800 -1.167984 2.797868
C -8.358100 -2.031235 -2.312760
H 4.568393 2.284341 -1.040144
H -4.721597 2.324267 0.777117
H 2.724778 -0.052932 2.118432
H -2.225082 -0.172944 -1.742922
H 2.514893 3.760504 -1.148065
H -2.739587 3.805588 1.281390
H 0.684610 1.419622 2.022210
H -0.246973 1.304220 -1.259461
H 3.490639 -3.223235 -1.415182
H 3.950433 -2.562781 -3.030739
H 7.007208 -2.213283 2.187925
H 7.359429 -0.471954 1.854547
H -4.107099 -2.956382 1.999743
H -5.049284 -2.101387 3.280111
H -6.231583 -2.455621 -2.654624
H -6.648875 -0.696812 -2.652425
H 1.914743 -1.283461 -1.050887
H 2.407083 -0.572979 -2.625095
H 1.498824 -2.118091 -2.577605
H 8.974417 -2.881663 0.737225
H 9.319726 -1.156911 0.398815
H 9.518434 -1.799528 2.060158
H -2.442750 -1.060342 1.932246
H -3.393503 -0.162865 3.161650
H -2.569694 -1.692441 3.601875
H -8.565966 -3.003420 -1.835343
H -8.978622 -1.260440 -1.825800
H -8.646991 -2.092420 -3.378352


