%chk=000218753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218753

0 1
S 7.793396 0.367351 -1.183811
S 8.484763 0.180128 0.744627
O -3.423358 -0.856824 0.055453
O 7.375159 1.207161 1.475183
O 8.207991 -1.127794 1.228972
O 9.746053 0.828385 0.872282
N 3.865782 -0.514169 -0.597588
N -4.990888 0.878658 0.310491
N -9.790368 1.016762 0.709922
C 1.415192 -0.577040 -0.306231
C 0.136600 0.252231 -0.137235
C 2.658733 0.326863 -0.324651
C -1.103237 -0.648721 -0.117228
C -2.369418 0.183375 0.045174
C 5.126124 0.291967 -0.551863
C 6.236603 -0.577377 -1.137830
C -4.705514 -0.455322 0.188696
C -5.686035 -1.481812 0.192245
C -7.009510 -1.100231 0.327679
C -6.294564 1.226619 0.441770
C -7.333075 0.271698 0.455396
C -8.688448 0.683121 0.595763
H 1.371712 -1.162885 -1.248094
H 1.494832 -1.324697 0.506434
H 0.190107 0.844014 0.798088
H 0.054906 0.989497 -0.960973
H 2.571841 1.073654 -1.145900
H 2.731967 0.900689 0.624552
H -1.034576 -1.392365 0.703334
H -1.164950 -1.249783 -1.048064
H 3.921178 -1.274394 0.091055
H -2.423447 0.733672 0.999109
H -2.568827 0.863204 -0.799747
H 5.388258 0.640977 0.475711
H 4.989062 1.210356 -1.168205
H 6.366367 -1.528924 -0.580740
H 6.003083 -0.866351 -2.186951
H -5.382659 -2.521414 0.090556
H -7.806461 -1.848146 0.336864
H -6.502394 2.301595 0.538005
H 7.722219 1.861370 2.104649


%chk=000218753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218753

0 1
S 7.764958 0.556415 -1.462083
S 8.872124 -0.055359 0.670441
O -3.571928 -1.010409 0.084229
O 8.692125 1.601971 1.498991
O 7.888413 -1.104701 1.426257
O 10.453488 -0.385323 0.595212
N 3.846502 -0.248461 -0.423073
N -5.144663 0.749656 0.246115
N -10.008383 1.076465 0.513726
C 1.373392 -0.480714 -0.249985
C 0.026063 0.256861 -0.084869
C 2.575720 0.483117 -0.269732
C -1.176256 -0.715404 -0.069345
C -2.502519 0.031456 0.071295
C 5.073305 0.542447 -0.585481
C 6.195122 -0.385544 -1.086734
C -4.878523 -0.582794 0.174239
C -5.886583 -1.588371 0.184834
C -7.222049 -1.179970 0.272290
C -6.445158 1.134341 0.330658
C -7.527919 0.214814 0.347579
C -8.881555 0.680322 0.437981
H 1.372467 -1.068651 -1.187944
H 1.495893 -1.206729 0.581445
H 0.039786 0.847655 0.854327
H -0.096310 0.986062 -0.912496
H 2.480739 1.180837 -1.125638
H 2.561955 1.111864 0.654975
H -1.072229 -1.431672 0.768252
H -1.192094 -1.310270 -1.002556
H 3.948107 -1.036448 0.229831
H -2.563726 0.611813 1.010436
H -2.690497 0.721815 -0.771407
H 5.412006 1.055086 0.344785
H 4.876447 1.332467 -1.335275
H 6.450133 -1.141221 -0.313786
H 5.904932 -0.923254 -2.008387
H -5.602135 -2.641084 0.124742
H -8.030612 -1.916582 0.283181
H -6.632543 2.211728 0.387079
H 9.396205 1.650867 2.212789


