%chk=000228427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228427

0 1
S 4.689231 -0.681462 -0.848585
O 1.875583 -3.419477 -0.378555
O 2.892500 0.636649 1.806842
N 1.150222 -1.621313 0.908738
N 2.417743 1.700562 -0.200650
N -0.166583 -1.867183 0.620971
N 1.060397 1.647101 0.019078
C 4.561312 -2.315763 -0.058600
C 5.565826 0.329171 0.390054
C 3.499393 -2.331379 1.022988
C 4.743653 1.591448 0.587716
C 2.115724 -2.537974 0.415067
C 3.284776 1.228820 0.821671
C -2.490836 -1.316953 0.717808
C -1.201477 1.968794 -0.703972
C -1.071390 -0.995590 0.975575
C 0.252840 1.917564 -0.968288
C -3.478074 -0.675326 1.486935
C -2.083546 1.409714 -1.643868
C -2.871973 -2.242603 -0.268355
C -1.703788 2.594986 0.447211
C -4.827714 -0.960904 1.269861
C -3.461361 1.485782 -1.430461
C -4.224348 -2.519713 -0.481316
C -3.084712 2.673048 0.647944
C -5.203901 -1.881095 0.285628
C -3.963634 2.121937 -0.289356
H 4.304935 -3.030429 -0.878654
H 5.545284 -2.631094 0.333425
H 6.581407 0.561869 0.017279
H 5.689849 -0.224474 1.340686
H 3.555152 -1.428722 1.673468
H 3.674232 -3.184699 1.719097
H 4.885100 2.293551 -0.259209
H 5.102972 2.149916 1.483840
H 1.449725 -0.755622 1.406300
H 2.799610 1.912925 -1.131916
H -0.884443 -0.025129 1.463133
H 0.539081 2.126294 -2.010443
H -3.192497 0.044484 2.251605
H -1.696925 0.904303 -2.527413
H -2.105005 -2.750479 -0.857979
H -1.016545 3.016618 1.180742
H -5.588477 -0.467126 1.870815
H -4.146820 1.040176 -2.150459
H -4.514084 -3.239940 -1.244450
H -3.475158 3.163174 1.538312
H -6.255715 -2.102209 0.119999
H -5.038841 2.178173 -0.128359


%chk=000228427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228427

0 1
S 4.677438 -0.884613 -0.938746
O 2.016783 -3.998255 -0.198122
O 2.513043 0.454302 1.571496
N 1.353496 -2.122060 1.070400
N 2.156753 1.994520 -0.162756
N -0.000854 -2.355145 0.917611
N 0.770085 1.867563 -0.188640
C 4.740288 -2.585014 -0.094601
C 5.260281 0.213243 0.499452
C 3.722590 -2.760541 1.046369
C 4.459338 1.528266 0.523825
C 2.291208 -3.023118 0.551817
C 2.958600 1.260666 0.703534
C -2.274364 -1.666469 1.390177
C -1.300933 2.598301 -1.258147
C -0.819246 -1.465818 1.446047
C 0.150960 2.634492 -1.065359
C -3.130454 -0.753037 2.066496
C -1.898780 3.542207 -2.139841
C -2.853857 -2.760043 0.683101
C -2.124969 1.639903 -0.603432
C -4.531520 -0.927800 2.042818
C -3.292500 3.534332 -2.356204
C -4.251285 -2.928202 0.658499
C -3.514566 1.631564 -0.825346
C -5.098241 -2.015049 1.337511
C -4.103719 2.579299 -1.699677
H 4.535464 -3.306417 -0.903861
H 5.772890 -2.735433 0.263399
H 6.338012 0.414929 0.386486
H 5.089160 -0.340826 1.436047
H 3.756719 -1.911428 1.752243
H 4.009400 -3.666951 1.617755
H 4.655666 2.113342 -0.395043
H 4.803971 2.141387 1.380984
H 1.694883 -1.225343 1.474457
H 2.625724 2.605249 -0.849650
H -0.453897 -0.558250 1.965604
H 0.709371 3.346934 -1.709947
H -2.693634 0.089063 2.618937
H -1.269528 4.280689 -2.653205
H -2.186181 -3.457872 0.167696
H -1.659667 0.902555 0.055882
H -5.178173 -0.222114 2.576625
H -3.744472 4.264903 -3.035827
H -4.687167 -3.772313 0.112078
H -4.134690 0.881086 -0.323571
H -6.185154 -2.153517 1.319051
H -5.185575 2.567236 -1.872522


