%chk=000248881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248881

0 1
S -2.255673 1.402940 -0.809262
S 1.540405 0.563652 1.470054
O 0.136690 -0.214425 0.898600
O -3.366805 2.313013 -0.880488
O -1.266112 1.462289 -1.866266
O 1.770546 -0.000106 2.775314
O 1.226024 1.975303 1.369525
N -1.451598 1.556102 0.717701
C -1.159778 0.247123 1.310946
C -2.121934 -0.742289 0.649759
C -2.758583 -0.229402 -0.498355
C -2.374260 -2.032639 1.090681
C -3.659713 -1.000472 -1.209817
C 2.675245 0.016485 0.331518
C -3.288579 -2.818168 0.363697
C -3.924712 -2.311150 -0.769314
C 2.738542 0.517774 -0.980949
C 3.565636 -0.998562 0.740716
C 3.702631 -0.016395 -1.867581
C 1.830234 1.582707 -1.463897
C 4.509945 -1.510601 -0.136589
C 4.572894 -1.014401 -1.451960
H -1.205346 0.268072 2.425381
H -0.779282 2.313130 0.940531
H -1.871722 -2.435587 1.969180
H -4.163910 -0.610218 -2.096366
H -3.498069 -3.836718 0.695461
H -4.632168 -2.929901 -1.320811
H 3.510536 -1.383645 1.767764
H 3.753204 0.362466 -2.888202
H 2.159057 2.051951 -2.401110
H 0.804248 1.199773 -1.682701
H 1.685054 2.406665 -0.740152
H 5.197200 -2.290913 0.184089
H 5.312553 -1.420052 -2.145196


%chk=000248881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248881

0 1
S -2.454537 1.512748 -0.844213
S 1.572871 0.485687 1.527662
O 0.092892 -0.352115 0.710665
O -3.684317 2.563510 -0.820459
O -1.456057 1.553062 -2.133039
O 1.856131 -0.235105 2.948200
O 1.258509 2.085229 1.531721
N -1.554695 1.527846 0.777226
C -1.222947 0.199643 1.231945
C -2.246644 -0.756609 0.638733
C -2.978391 -0.255073 -0.446758
C -2.487867 -2.078610 1.061265
C -3.955455 -0.975207 -1.139627
C 2.879790 -0.040957 0.271771
C -3.470233 -2.842413 0.388032
C -4.198982 -2.300049 -0.699230
C 2.892161 0.508958 -1.033118
C 3.793950 -0.985511 0.770709
C 3.944502 0.029122 -1.861916
C 1.893453 1.517693 -1.557549
C 4.819067 -1.430049 -0.090689
C 4.887060 -0.919198 -1.407097
H -1.184224 0.177164 2.337925
H -0.852914 2.273626 0.898436
H -1.918149 -2.501546 1.894989
H -4.511313 -0.539517 -1.975058
H -3.671140 -3.868204 0.713228
H -4.957790 -2.906012 -1.204560
H 3.703536 -1.350798 1.798623
H 4.009951 0.415659 -2.884806
H 2.180978 1.852614 -2.567085
H 0.872597 1.097309 -1.625764
H 1.831492 2.402227 -0.900022
H 5.549812 -2.162813 0.264718
H 5.679303 -1.258513 -2.082958


