%chk=000256175.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256175

0 1
S 4.878667 0.200115 0.149113
O -3.184957 0.448683 0.169962
O -5.969413 1.351529 -0.830611
O 5.476354 0.907523 -0.966261
O 5.326893 0.431242 1.509052
N -1.012393 0.718890 -0.144144
N 5.190978 -1.469767 -0.151845
C -4.318064 -1.742646 0.388286
C -4.346502 -0.353424 -0.239871
C -3.000565 -2.435416 0.031476
C -1.813106 -1.595719 0.507024
C -1.939883 -0.137871 0.147345
C -5.512633 0.526291 0.241837
C 0.382337 0.514327 -0.055702
C 3.168566 0.326531 0.072909
C 1.153345 0.687727 -1.226655
C 1.013094 0.253314 1.180576
C 2.538971 0.598077 -1.150430
C 2.402210 0.171007 1.234158
H -5.180511 -2.339878 0.031452
H -4.428461 -1.675976 1.489398
H -4.307905 -0.392278 -1.352889
H -2.936782 -2.601586 -1.063149
H -2.958450 -3.442543 0.491320
H -0.865470 -2.012300 0.102735
H -1.715488 -1.667737 1.614304
H -5.211238 1.152826 1.104311
H -6.408583 -0.068740 0.501901
H -5.294084 2.038090 -1.038729
H 0.658376 0.913883 -2.170692
H 0.421333 0.152700 2.086751
H 3.142460 0.749046 -2.053826
H 2.897137 -0.011562 2.195894
H 5.586501 -2.021737 0.605858
H 5.664866 -1.714922 -1.018260


%chk=000256175-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256175

0 1
S 4.964987 0.131162 0.174006
O -3.283355 0.475952 0.008442
O -5.730439 1.676323 -0.572629
O 5.640714 0.930353 -1.074933
O 5.371666 0.385039 1.732020
N -1.050907 0.783758 -0.311527
N 5.272646 -1.665593 -0.142045
C -4.330054 -1.774574 0.451811
C -4.463232 -0.424780 -0.259850
C -2.972948 -2.418584 0.096348
C -1.817142 -1.483840 0.525117
C -1.985975 -0.045271 0.036411
C -5.661183 0.424503 0.175093
C 0.331876 0.565026 -0.173671
C 3.107566 0.297655 0.031422
C 1.159408 0.734730 -1.322597
C 0.940024 0.298343 1.089916
C 2.555351 0.588599 -1.228713
C 2.337663 0.164434 1.198204
H -5.167800 -2.425189 0.138054
H -4.410097 -1.635424 1.548299
H -4.488701 -0.563767 -1.359658
H -2.923530 -2.605433 -0.994084
H -2.859000 -3.396010 0.598089
H -0.840171 -1.863689 0.179908
H -1.777770 -1.456931 1.632912
H -5.600813 0.607420 1.269551
H -6.599749 -0.110792 -0.048954
H -4.845346 2.119294 -0.493127
H 0.687424 0.988406 -2.276100
H 0.315520 0.229177 1.986882
H 3.203689 0.728752 -2.099379
H 2.822698 -0.014569 2.163126
H 5.729415 -2.052814 0.701077
H 5.865163 -1.733967 -0.986821


