%chk=000223802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223802

0 1
S -5.729270 0.669150 0.793977
O 5.365241 -0.136161 0.121428
O 2.492418 -1.937062 -1.052225
O 4.735096 0.883854 -2.841315
O 2.440171 -1.024859 2.135101
O 2.888329 2.361883 -0.166018
O 0.916577 0.339983 -0.743324
O -6.307224 0.806845 2.116424
O -5.985304 1.648961 -0.242647
N 0.114450 -0.240428 1.351175
N -6.333305 -0.820981 0.179960
C 4.420640 -0.500051 -0.895117
C 3.318671 -1.264195 -0.115750
C 3.905836 0.734791 -1.675499
C 2.546573 -0.353679 0.872347
C 4.052156 2.084621 -0.948206
C 1.115396 -0.057470 0.399569
C -1.282116 -0.009589 1.166109
C -2.130238 -0.293526 2.261261
C -1.812906 0.487968 -0.037268
C -4.034426 0.410719 0.935883
C -3.499383 -0.078707 2.134434
C -3.187310 0.695465 -0.140959
H 4.914704 -1.202333 -1.610360
H 3.777794 -2.111976 0.459041
H 2.841904 0.577863 -1.982470
H 3.078656 0.632003 1.016633
H 4.221120 2.898282 -1.679457
H 4.865631 2.082876 -0.195326
H 6.207614 0.153390 -0.297374
H 1.923149 -1.306778 -1.567431
H 0.404049 -0.624780 2.269746
H 4.408590 0.325309 -3.575018
H 3.265943 -0.885915 2.654687
H -1.726812 -0.674697 3.197331
H -1.156857 0.710161 -0.885721
H 2.077732 2.374739 -0.730463
H -4.160598 -0.286074 2.985385
H -3.601741 1.095348 -1.075107
H -6.929333 -1.382185 0.784009
H -6.713119 -0.832166 -0.763847


%chk=000223802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223802

0 1
S -6.240205 0.225531 1.536810
O 4.570214 -0.980482 0.565298
O 2.632644 0.185861 -2.352935
O 6.579454 -0.137060 -0.836306
O 2.236100 -0.317686 1.381648
O 3.933501 2.453938 -1.578770
O 0.168977 0.604366 -1.438194
O -6.532958 0.462918 3.122144
O -6.871791 1.150614 0.353874
N -0.207606 0.140787 0.847066
N -6.755526 -1.511589 1.194604
C 4.321638 -0.748211 -0.872938
C 2.801115 -0.514522 -1.066397
C 5.284253 0.365134 -1.366275
C 2.091980 0.299933 0.068853
C 5.016762 1.797650 -0.854520
C 0.584651 0.370104 -0.247609
C -1.619624 0.164068 0.952846
C -2.181698 -0.133065 2.225668
C -2.462880 0.485878 -0.146549
C -4.379961 0.186824 1.297532
C -3.576383 -0.124973 2.406307
C -3.860717 0.497635 0.031576
H 4.598589 -1.667061 -1.426177
H 2.312169 -1.508186 -1.117568
H 5.288314 0.366750 -2.473594
H 2.484405 1.339334 0.059318
H 5.928859 2.408435 -1.012413
H 4.811670 1.775071 0.236875
H 5.558745 -0.943890 0.681479
H 1.636417 0.368828 -2.427976
H 0.354821 -0.117495 1.676186
H 7.317243 0.462738 -1.104303
H 3.196747 -0.630824 1.439515
H -1.525846 -0.365850 3.072344
H -2.017740 0.720352 -1.114975
H 3.389359 1.748007 -2.053449
H -4.028524 -0.329049 3.381565
H -4.531144 0.766510 -0.790819
H -7.264553 -1.854444 2.026799
H -7.332973 -1.512276 0.337057


