%chk=000194238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194238

0 1
S 4.004777 -1.464827 -2.072718
P -0.595632 -1.744793 -0.072498
P -4.132708 -0.471736 -1.881072
O -0.790125 -0.968462 1.422819
O 2.736498 -2.586811 -1.688540
O -4.876538 0.303893 -0.575610
O 5.095303 -1.985200 -1.294895
O 4.090353 -1.444105 -3.503885
O 0.824860 -2.428901 0.186576
O -0.303073 -0.515924 -1.095123
O -1.729681 -2.613995 -0.469565
O -5.346532 -0.285438 -2.944177
O -4.243928 -2.047701 -1.527851
O -2.810125 0.058001 -2.260783
N 0.544697 1.978263 2.123771
C 1.997968 1.042851 0.331872
C 2.925401 0.033499 -0.072285
C 1.512426 1.026455 1.697248
C -0.591541 1.467080 2.945678
C 3.236350 -0.079201 -1.468134
C -1.785582 1.118503 2.098435
C 1.555660 1.995858 -0.625746
C 3.472430 -0.844979 0.902511
C 2.044511 0.125583 2.611603
C 2.783159 0.870576 -2.369013
C 3.041125 -0.788253 2.210280
C 1.969195 1.940484 -1.941138
C -1.878643 -0.120265 1.428543
C -2.840086 2.031443 1.931293
C -3.031147 -0.478535 0.721143
C -3.951950 0.534354 0.431559
C -3.905945 1.782194 1.061040
H -0.276637 0.577748 3.543774
H -0.842389 2.265740 3.683031
H 0.207988 2.598959 1.377826
H 0.870195 2.789663 -0.311281
H 4.260326 -1.556831 0.634592
H 1.697639 0.112106 3.643512
H 3.032643 0.791989 -3.437014
H 3.464140 -1.465033 2.956841
H 1.641632 2.687655 -2.662844
H -2.804602 2.987213 2.461002
H -3.242122 -1.531941 0.478266
H -4.669070 2.530060 0.858969
H 3.005005 -3.508664 -1.563153
H 1.597253 -2.240259 -0.514890
H -1.071768 -0.218902 -1.726337
H -6.191694 -0.790778 -2.754011
H -3.369613 -2.556238 -1.262521


%chk=000194238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194238

0 1
S 4.700299 -1.642076 -1.892420
P -0.766317 -1.371582 -0.349051
P -4.557941 -0.211129 -1.652595
O -1.105851 -1.157490 1.432430
O 2.558264 -2.865253 -1.762744
O -5.387548 0.155539 -0.116540
O 5.718467 -2.199438 -0.733828
O 5.223336 -1.495116 -3.435419
O 0.767756 -1.814990 -0.367891
O -0.963527 0.257400 -0.863809
O -1.884104 -2.319015 -1.041081
O -5.880710 0.004927 -2.687735
O -4.183580 -1.827938 -1.784231
O -3.302940 0.769474 -1.860516
N 0.261358 1.438775 1.548999
C 2.205012 0.933159 0.169611
C 3.331577 0.037309 -0.021702
C 1.532455 0.933855 1.471956
C -0.627104 1.361854 2.739165
C 3.774176 -0.123960 -1.383607
C -2.020087 0.961986 2.281310
C 1.762147 1.742629 -0.905294
C 3.906052 -0.622929 1.099891
C 2.207421 0.356135 2.590772
C 3.271764 0.622034 -2.461918
C 3.378823 -0.391534 2.391676
C 2.323798 1.632562 -2.193679
C -2.211221 -0.301013 1.661772
C -3.109921 1.869192 2.288292
C -3.446429 -0.646345 1.089346
C -4.411240 0.363940 0.912107
C -4.299923 1.604940 1.567086
H -0.223908 0.612210 3.440539
H -0.655103 2.340352 3.254598
H -0.246735 1.501562 0.648609
H 0.967787 2.477779 -0.746649
H 4.744429 -1.310431 0.962936
H 1.786992 0.433191 3.595869
H 3.625432 0.423604 -3.478741
H 3.862343 -0.860347 3.254946
H 1.986998 2.291493 -2.998550
H -2.987448 2.846258 2.770552
H -3.595604 -1.645646 0.673092
H -5.070313 2.368924 1.434401
H 2.632267 -3.830682 -1.576129
H 1.782845 -2.419683 -1.210045
H -1.879734 0.486317 -1.326439
H -6.028161 -0.763165 -3.298061
H -3.135942 -2.095241 -1.484180


