%chk=000279287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279287

0 1
S 1.675569 -1.683292 -0.488144
O 1.613309 -2.056795 -1.891558
O 1.509829 -2.696991 0.540424
N 0.495115 -0.447756 -0.213154
C -1.748453 -0.649377 -1.176271
C -1.813248 -1.049667 0.344530
C -2.902148 0.389171 -1.318941
C -2.996091 -0.191377 0.886915
C -2.853862 1.072806 0.044361
C -4.250829 -0.382387 -1.202944
C -4.314845 -0.777893 0.299898
C -0.341255 -0.056026 -1.392284
C -0.440404 -0.668840 0.935438
C -2.722638 2.354225 0.387212
C -2.692610 2.808380 1.815145
C -2.589376 3.450887 -0.625561
C 3.167370 -0.844919 -0.203939
C 3.717873 -0.820577 1.080506
C 3.817512 -0.203808 -1.262052
C 4.919233 -0.142910 1.310960
C 5.019000 0.474329 -1.033300
C 5.566911 0.505695 0.253753
H -1.910353 -1.522068 -1.835004
H -2.008834 -2.129819 0.474020
H -2.826266 1.028565 -2.204751
H -3.004233 -0.071598 1.975411
H -4.284273 -1.259575 -1.863330
H -5.095350 0.264823 -1.482535
H -5.192281 -0.334080 0.793262
H -4.382379 -1.865457 0.438918
H 0.105945 -0.393755 -2.350573
H -0.372970 1.056534 -1.412013
H -0.496826 0.290652 1.496995
H -0.063901 -1.443388 1.635957
H -1.733546 3.287480 2.054106
H -3.484584 3.542962 2.013155
H -2.831138 1.983680 2.525382
H -3.391096 4.192813 -0.511882
H -1.633903 3.979716 -0.508224
H -2.633360 3.082278 -1.658008
H 3.217524 -1.340566 1.904253
H 3.395246 -0.240978 -2.271795
H 5.350284 -0.123468 2.310408
H 5.527528 0.973540 -1.856264
H 6.503504 1.034633 0.432918


%chk=000279287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279287

0 1
S 1.616319 -1.578819 -0.327572
O 1.387774 -2.033733 -1.885752
O 1.388613 -2.624564 0.911800
N 0.566105 0.048881 0.056276
C -1.575990 -0.409206 -1.102166
C -1.712442 -0.853646 0.415779
C -2.860062 0.453059 -1.333674
C -3.055793 -0.187643 0.859074
C -3.029147 1.111242 0.042259
C -4.084709 -0.518556 -1.352971
C -4.219543 -0.959356 0.155384
C -0.240843 0.380450 -1.167993
C -0.443640 -0.295092 1.114350
C -3.122459 2.415454 0.415902
C -3.294183 2.849221 1.864403
C -3.073045 3.565234 -0.579745
C 3.382859 -0.927995 -0.196982
C 3.978698 -0.886901 1.073323
C 4.033315 -0.551403 -1.382074
C 5.310682 -0.419326 1.156303
C 5.365421 -0.086557 -1.277989
C 5.997415 -0.016709 -0.014066
H -1.535107 -1.276496 -1.783701
H -1.751693 -1.952095 0.521866
H -2.800887 1.114068 -2.212474
H -3.171527 -0.102495 1.950822
H -3.915629 -1.374832 -2.030912
H -4.993190 0.009034 -1.693856
H -5.195818 -0.653417 0.571420
H -4.122488 -2.052300 0.287007
H 0.343069 0.162916 -2.077901
H -0.415605 1.472795 -1.105326
H -0.653251 0.662682 1.630494
H -0.000270 -1.002359 1.835997
H -2.461974 3.510805 2.178516
H -4.226058 3.436270 1.989586
H -3.334406 1.995720 2.560636
H -4.007858 4.159565 -0.539399
H -2.246953 4.262440 -0.334252
H -2.933959 3.221191 -1.617578
H 3.430141 -1.228948 1.956538
H 3.523539 -0.643254 -2.346576
H 5.809339 -0.375439 2.130160
H 5.906253 0.213254 -2.181682
H 7.029688 0.342662 0.058147


