%chk=000272249.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272249

0 1
S 5.301970 -0.281067 -0.790726
O -2.551843 -0.007561 1.370070
O -1.879587 -2.670222 -0.598074
O -3.816233 -0.356279 -1.943557
O -4.978278 1.833336 -0.673205
N -0.362372 0.163957 0.553215
N 0.880924 2.090404 0.515558
N 3.056990 1.039751 -0.122864
N 2.964271 -1.396427 -0.382980
N 1.053575 -2.699445 0.058994
C -2.058920 -1.252130 -0.640966
C -1.505498 -0.749693 0.722767
C -3.560579 -0.868357 -0.643681
C -3.709767 0.158004 0.506633
C -3.753268 1.621208 0.038030
C 0.950581 -0.219833 0.205170
C -0.338332 1.561617 0.739047
C 1.719876 1.014487 0.181491
C 1.633855 -1.440850 -0.064703
C 3.594605 -0.172828 -0.382835
C 5.858836 1.430480 -0.731485
H -1.535956 -0.833155 -1.532464
H -1.243535 -1.582281 1.429281
H -4.213330 -1.758025 -0.494297
H -4.561727 -0.080137 1.180998
H -2.975219 1.845999 -0.722157
H -3.658212 2.322674 0.884777
H -2.190433 -3.076030 -1.442955
H -4.545639 0.325734 -1.933416
H -1.214644 2.118316 1.050744
H -5.729758 1.945422 -0.052715
H 1.621246 -3.492436 -0.227178
H 0.059831 -2.808096 -0.123532
H 5.319203 2.063118 -1.450608
H 6.928614 1.446782 -0.970025
H 5.704553 1.877761 0.261252


%chk=000272249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272249

0 1
S 5.489473 -0.398609 -0.635871
O -2.454895 0.193069 1.407887
O -1.763325 -2.458131 -0.917367
O -4.542207 -1.027460 -1.428455
O -5.081391 1.582497 -0.943085
N -0.272512 0.232811 0.425253
N 1.047547 2.114724 0.439042
N 3.185194 1.003253 -0.118472
N 3.022707 -1.420912 -0.434749
N 1.028829 -2.647794 -0.345555
C -2.189348 -1.091240 -0.624210
C -1.461989 -0.606192 0.655750
C -3.691208 -1.014143 -0.253697
C -3.742485 0.241350 0.655301
C -3.847252 1.576291 -0.121031
C 1.034471 -0.193890 0.092293
C -0.186466 1.620298 0.623460
C 1.836678 0.994545 0.113938
C 1.670217 -1.435174 -0.232480
C 3.695481 -0.229671 -0.357039
C 6.020765 1.395456 -0.454067
H -1.973031 -0.425023 -1.482436
H -1.168024 -1.474576 1.273867
H -3.936619 -1.910128 0.348225
H -4.540832 0.176488 1.414320
H -3.020516 1.691183 -0.840886
H -3.827733 2.432017 0.578440
H -2.268538 -2.794668 -1.699156
H -4.927188 -0.109594 -1.562694
H -1.044146 2.198921 0.950619
H -5.856798 1.890636 -0.413656
H 1.630436 -3.440711 -0.569287
H 0.013392 -2.719438 -0.502757
H 5.509208 2.012290 -1.205595
H 7.110884 1.397110 -0.613578
H 5.767021 1.758612 0.551333


