%chk=000218166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218166

0 1
S 5.038385 1.211118 0.546641
S 4.485496 2.986122 0.830151
O -1.158150 -1.197008 0.483244
O 3.644583 0.367763 0.301420
O 5.509228 0.539515 1.983748
O 6.020958 0.753924 -0.380641
N 2.017613 -2.688361 0.147522
N 1.396434 -0.541314 -0.863755
C -3.030144 -0.099831 -0.594812
C -3.651436 1.346653 -0.409652
C -2.233314 2.012445 -0.239142
C -2.192343 -0.222800 0.727922
C -2.011256 0.119990 -1.754992
C -1.610749 1.203673 0.932673
C -1.502224 1.568858 -1.535433
C -3.992210 -1.242753 -0.813544
C -4.558223 1.504160 0.814423
C -4.431945 1.850693 -1.625472
C -0.498861 -1.696238 1.677057
C -0.108266 -3.141524 1.372651
C 0.681749 -3.300455 0.060550
C 2.255470 -1.467251 -0.228117
C 3.710646 -1.022358 -0.105154
H -2.242277 3.094501 -0.076645
H -2.803879 -0.564151 1.583009
H -1.193146 -0.619708 -1.704872
H -2.486292 -0.005285 -2.737750
H -1.885056 1.626711 1.908775
H -0.511526 1.200253 0.890663
H -1.757697 2.223331 -2.382773
H -0.409808 1.616351 -1.430247
H -4.724390 -1.322252 -0.002351
H -4.552195 -1.123631 -1.748453
H -3.454297 -2.199032 -0.868162
H -4.080925 1.219438 1.755655
H -5.461618 0.892071 0.712712
H -4.879297 2.546344 0.927709
H -5.389097 1.325946 -1.722323
H -3.896460 1.707415 -2.569517
H -4.646852 2.921209 -1.536981
H 0.379185 -1.049138 1.850630
H -1.175872 -1.635761 2.545790
H 0.490699 -3.538581 2.218096
H -1.020452 -3.767569 1.307781
H 0.068615 -2.923725 -0.789497
H 0.861057 -4.385506 -0.130480
H 4.246620 -1.603495 0.670437
H 4.231002 -1.089343 -1.082107
H 0.386202 -0.660086 -0.688393
H 1.675182 0.433248 -0.807365
H 6.269434 -0.073573 1.973672


%chk=000218166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218166

0 1
S 5.294907 1.354971 0.209455
S 4.936707 3.413659 0.534824
O -1.280711 -1.350738 0.393561
O 3.687736 0.451386 0.580474
O 6.284066 0.597319 1.600594
O 5.968534 0.771339 -1.144035
N 2.096839 -2.745155 0.533485
N 1.433446 -0.618783 -0.424849
C -3.107675 -0.054959 -0.705152
C -3.699469 1.394547 -0.423568
C -2.276776 2.027411 -0.191178
C -2.284747 -0.286743 0.602251
C -2.078143 0.237956 -1.847418
C -1.687329 1.126903 0.936176
C -1.524692 1.668003 -1.507630
C -4.091681 -1.184007 -1.020179
C -4.640505 1.484644 0.805276
C -4.471507 1.997201 -1.622199
C -0.735479 -1.911724 1.651748
C -0.217531 -3.329287 1.378119
C 0.823333 -3.434324 0.233624
C 2.306861 -1.510055 0.169792
C 3.750987 -1.007583 0.352748
H -2.274163 3.104424 0.049056
H -2.958428 -0.639831 1.410899
H -1.292533 -0.534798 -1.880090
H -2.584407 0.218372 -2.828932
H -1.986332 1.470333 1.942110
H -0.582582 1.109358 0.911536
H -1.747560 2.391822 -2.311322
H -0.428939 1.677858 -1.361902
H -4.820424 -1.333850 -0.200543
H -4.658792 -0.975885 -1.946386
H -3.549782 -2.136955 -1.162518
H -4.181304 1.145397 1.748650
H -5.551892 0.879537 0.639570
H -4.964606 2.531615 0.956309
H -5.435182 1.472959 -1.766095
H -3.919011 1.945379 -2.574272
H -4.701536 3.061815 -1.426486
H 0.072913 -1.252775 2.030723
H -1.541266 -1.946053 2.414036
H 0.236118 -3.714831 2.312015
H -1.074109 -3.983126 1.123558
H 0.356868 -3.068713 -0.707416
H 1.057138 -4.505645 0.094344
H 4.201773 -1.519589 1.215894
H 4.327145 -1.220392 -0.570212
H 0.418546 -0.805273 -0.414895
H 1.767944 0.333024 -0.582050
H 7.145534 0.294845 1.182802


