%chk=000241878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241878

0 1
S 2.083360 1.855997 -0.281322
S -0.348025 1.238654 0.963600
S 4.734773 1.035610 0.955060
S -2.977855 0.360253 2.196338
O 0.232680 -0.041231 -3.132054
N 2.853256 -0.679737 0.326535
N -2.169723 -0.438816 -0.168642
C 0.497381 1.039885 -0.634920
C -0.143056 1.811475 -1.722360
C -0.287076 1.221183 -3.001932
C -0.630985 3.115363 -1.553670
C 3.117590 0.595090 0.309875
C -1.808663 0.315278 0.829297
C 5.057582 -0.653782 1.263584
C -4.023136 -0.733747 1.322580
C 3.933746 -1.431892 0.867287
C -3.429513 -1.058011 0.070298
C -0.901783 1.887551 -4.071442
C -1.239693 3.795743 -2.612806
C -1.377824 3.183008 -3.862574
C 6.193366 -1.244744 1.806209
C -5.252325 -1.261553 1.701087
C 3.951053 -2.826503 1.021522
C -4.083797 -1.927623 -0.815064
C 6.199489 -2.633330 1.953941
C -5.894393 -2.125510 0.811094
C 5.092024 -3.411514 1.566567
C -5.315744 -2.452710 -0.429482
H 0.614698 -0.051942 -0.897287
H -0.543997 3.609525 -0.582481
H -1.006122 1.408272 -5.039122
H -1.612689 4.806301 -2.459589
H -1.859717 3.718648 -4.681038
H 7.051398 -0.646732 2.107859
H -5.702469 -1.011490 2.660053
H 3.087914 -3.419209 0.719707
H -3.627338 -2.176064 -1.771859
H 7.074483 -3.125981 2.376678
H -6.858807 -2.555147 1.079031
H 5.131155 -4.493227 1.697659
H -5.844200 -3.131146 -1.099336
H 0.042080 -0.436390 -4.018881


%chk=000241878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241878

0 1
S 2.318802 2.130978 -0.667367
S -0.222796 1.786164 0.998693
S 4.910801 0.824211 0.527381
S -2.638288 0.389307 2.435218
O 0.450929 0.299558 -3.233541
N 2.539281 -0.457553 0.330936
N -1.819358 -0.224955 -0.070368
C 0.523048 1.484152 -0.736207
C -0.208342 2.161237 -1.862853
C -0.229778 1.521378 -3.134301
C -0.858715 3.410456 -1.730179
C 3.111221 0.693184 0.077968
C -1.546298 0.570132 0.935896
C 4.774391 -0.899534 1.092186
C -3.504750 -0.908355 1.502013
C 3.436575 -1.381927 0.904783
C -2.911494 -1.074189 0.206427
C -0.898591 2.109378 -4.232625
C -1.522547 4.010569 -2.821783
C -1.543872 3.354635 -4.073827
C 5.780704 -1.712068 1.646742
C -4.602888 -1.685670 1.915061
C 3.109045 -2.703544 1.286517
C -3.435509 -2.040300 -0.683237
C 5.435418 -3.031231 2.022213
C -5.114045 -2.646618 1.011867
C 4.113541 -3.519898 1.843902
C -4.535032 -2.821123 -0.273307
H 0.592507 0.393373 -0.864028
H -0.859114 3.898833 -0.749634
H -0.913457 1.599254 -5.204642
H -2.024621 4.974943 -2.695896
H -2.061436 3.807827 -4.926260
H 6.800905 -1.343059 1.788775
H -5.054034 -1.557809 2.903680
H 2.086029 -3.063014 1.142510
H -2.976960 -2.161339 -1.668978
H 6.201345 -3.681725 2.457849
H -5.968302 -3.262820 1.312090
H 3.872389 -4.544945 2.144680
H -4.949279 -3.572524 -0.954002
H 0.351670 -0.095564 -4.134353


