%chk=000251742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251742

0 1
S -2.045467 -2.558103 -0.200078
S 1.838061 -1.986865 0.653526
F -0.083408 4.931034 0.726966
F 0.097896 3.043577 1.672936
F 1.675416 3.780124 0.461937
O -1.245186 2.042082 -0.288968
O 0.726286 2.279275 -1.436855
O -2.490219 -0.934645 -0.408192
O 2.303578 -0.753620 -0.418548
O -0.714354 -2.700084 -0.771036
O -3.097295 -3.329434 -0.799597
O 0.480995 -1.652752 1.063411
O 2.827238 -2.031339 1.692734
C -0.705227 0.685008 -0.407049
C 0.678707 0.871507 -1.063468
C -0.287457 2.985101 -0.735100
C -1.722637 -0.088824 -1.260043
C 1.886092 0.584834 -0.155648
C 0.341523 3.677080 0.520327
C -2.108332 -2.664353 1.513932
C 1.993380 -3.317113 -0.416528
H -0.663676 0.283507 0.635455
H 0.796558 0.337551 -2.035001
H -0.765646 3.699779 -1.436257
H -2.483535 0.609254 -1.679695
H -1.251607 -0.666209 -2.076393
H 2.754513 1.208653 -0.466831
H 1.690425 0.753409 0.917369
H -2.314251 -3.671962 1.901221
H -2.878488 -2.012432 1.963253
H -1.157812 -2.333536 2.000091
H 1.025175 -3.593949 -0.908305
H 2.368664 -4.238438 0.052101
H 2.670088 -3.120016 -1.267267


%chk=000251742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251742

0 1
S -2.440148 -2.585866 -0.188178
S 2.051377 -1.898903 0.663558
F -1.011409 3.977603 1.646085
F 0.673343 2.451520 1.638321
F 1.044002 4.567994 0.894454
O -1.284981 2.055842 -0.538217
O 0.866615 2.656408 -1.265466
O -2.463056 -0.720033 -0.517719
O 1.998911 -0.899656 -0.929258
O -1.064724 -3.189323 -0.820534
O -3.860192 -3.194255 -0.637530
O 0.708887 -1.577097 1.521913
O 3.483092 -1.693662 1.378686
C -0.519667 0.768497 -0.612092
C 0.789460 1.167644 -1.355595
C -0.311203 3.115849 -0.533717
C -1.367282 -0.244586 -1.375974
C 2.066506 0.570942 -0.740933
C 0.099673 3.523362 0.911921
C -2.313699 -2.494955 1.702090
C 1.923089 -3.562973 -0.231817
H -0.310715 0.402321 0.409813
H 0.734494 0.918764 -2.431095
H -0.741609 4.001051 -1.030992
H -1.822631 0.219623 -2.269697
H -0.726085 -1.098019 -1.682723
H 2.966397 0.926667 -1.269965
H 2.147390 0.845447 0.327639
H -2.457594 -3.522139 2.066190
H -3.118696 -1.816125 2.013722
H -1.306346 -2.097868 1.899763
H 0.900802 -3.584908 -0.641529
H 2.095901 -4.326192 0.539885
H 2.710096 -3.544874 -0.996611


