%chk=000218885.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218885

0 1
I -8.803400 1.490390 0.259521
S 7.336398 1.425097 -1.646979
O -3.137831 -0.874023 -0.363861
N 5.822100 0.218699 0.197159
N -4.525842 0.830401 0.478939
C 5.517248 -1.126209 0.787784
C 4.192923 -1.687735 0.242168
C 2.995087 -0.802666 0.609305
C 1.683139 -1.374327 0.057540
C 6.974383 0.865294 0.917778
C 6.084659 0.145691 -1.265540
C 0.490998 -0.479336 0.422293
C 7.498633 2.015653 0.068020
C -0.819853 -1.050304 -0.129866
C -1.995374 -0.154361 0.241411
C -4.371109 -0.337587 -0.215264
C -5.439944 -1.054671 -0.811316
C -6.716399 -0.527297 -0.674134
C -5.789203 1.322272 0.596115
C -6.892533 0.670654 0.035328
H 6.330484 -1.865605 0.617004
H 5.430444 -0.995481 1.890073
H 4.048327 -2.708189 0.648917
H 4.248340 -1.808033 -0.856582
H 2.931530 -0.690970 1.708298
H 3.163964 0.222997 0.219181
H 1.751077 -1.479948 -1.042661
H 1.520952 -2.396928 0.449531
H 6.571310 1.241163 1.885545
H 7.794548 0.153227 1.157792
H 6.452617 -0.833356 -1.630287
H 5.135805 0.388116 -1.791347
H 0.424998 -0.372156 1.522962
H 0.656194 0.543065 0.027802
H 6.904138 2.938178 0.201831
H 8.553744 2.257619 0.277728
H -0.993445 -2.075687 0.255670
H -0.765084 -1.159854 -1.232264
H -1.948783 0.851707 -0.207148
H -2.174119 -0.079683 1.326728
H -5.242144 -1.977696 -1.349174
H -7.573516 -1.042877 -1.115827
H -5.885165 2.262256 1.158626


%chk=000218885-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218885

0 1
I -8.781357 1.872501 0.253070
S 6.827112 1.853431 -1.703246
O -3.209200 -0.972499 -0.400822
N 5.905013 0.175697 0.219145
N -4.500310 0.840285 0.414456
C 5.617612 -1.157063 0.805528
C 4.282923 -1.759106 0.315668
C 3.054827 -0.881545 0.641157
C 1.733516 -1.472122 0.102341
C 7.054503 0.875824 0.843186
C 6.107129 0.150505 -1.243105
C 0.501678 -0.597427 0.427648
C 7.173197 2.232525 0.131830
C -0.813270 -1.187658 -0.132744
C -2.015751 -0.300751 0.189422
C -4.430406 -0.341058 -0.252236
C -5.563294 -0.985314 -0.821468
C -6.815292 -0.362313 -0.684015
C -5.719704 1.440480 0.544158
C -6.894081 0.872571 0.010835
H 6.448336 -1.880142 0.593327
H 5.570536 -1.027521 1.904385
H 4.166518 -2.755511 0.788803
H 4.329314 -1.943570 -0.776913
H 2.981691 -0.754726 1.741843
H 3.216969 0.131871 0.225623
H 1.809503 -1.597980 -0.998263
H 1.581406 -2.489138 0.521302
H 6.858097 1.008268 1.922960
H 8.011398 0.305247 0.728557
H 6.839820 -0.624252 -1.569030
H 5.152532 0.016061 -1.774861
H 0.418541 -0.478303 1.528058
H 0.659613 0.420509 0.014901
H 6.411946 2.943539 0.486041
H 8.181698 2.666670 0.214338
H -0.983277 -2.197483 0.288299
H -0.734758 -1.305635 -1.230831
H -1.922752 0.709710 -0.250379
H -2.175003 -0.185904 1.277950
H -5.446003 -1.936026 -1.347026
H -7.710445 -0.826207 -1.107471
H -5.740226 2.391059 1.086377


