%chk=000252804.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252804

0 1
S -2.152559 -2.078474 -0.211749
O -2.419331 -3.359517 0.411524
O -2.585719 -1.807736 -1.562428
N -2.916254 -0.967723 0.862085
C 1.408815 -0.343983 -0.653333
C 2.230261 0.737007 -1.315307
C 2.231749 -1.126118 0.220166
C 3.611231 0.511385 -0.743501
C 3.599283 -0.593300 0.163145
C 0.063181 -0.628344 -0.795139
C -0.475374 -1.699845 -0.057897
C 1.694040 -2.185278 0.938368
C 0.325319 -2.466044 0.789504
C 4.782066 1.209175 -0.991501
C 4.761043 -0.988306 0.812375
C 5.954553 0.802466 -0.329407
C 5.945381 -0.276471 0.556589
C -3.153238 0.411439 0.611205
C -3.116927 0.945990 -0.689431
C -3.419634 1.257964 1.710483
C -3.566372 3.164280 0.207637
C -3.317267 2.313470 -0.878884
C -3.623325 2.619309 1.501465
C -3.786676 4.628172 0.002615
H 1.846839 1.749012 -1.079792
H 2.221297 0.644747 -2.418952
H -0.567434 -0.040576 -1.467948
H 2.312118 -2.787975 1.599803
H -0.110390 -3.306188 1.344611
H 4.802843 2.050662 -1.679221
H 4.759371 -1.828597 1.503250
H 6.883665 1.341541 -0.514481
H 6.865717 -0.573350 1.057377
H -3.305208 -1.325936 1.743589
H -2.978976 0.299439 -1.562416
H -3.463518 0.853277 2.718183
H -3.289942 2.717526 -1.890552
H -3.828680 3.267467 2.352589
H -3.142114 5.229400 0.658156
H -3.582927 4.945694 -1.027835
H -4.828005 4.903939 0.223954


%chk=000252804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252804

0 1
S -2.340947 -2.284955 -0.406979
O -2.528481 -3.770912 0.225174
O -2.725846 -1.909817 -1.939430
N -3.501792 -1.150763 0.712849
C 1.298883 -0.344044 -0.712955
C 2.131052 0.724024 -1.409597
C 2.082638 -1.003274 0.286861
C 3.478419 0.615784 -0.705408
C 3.431120 -0.408289 0.290214
C -0.036088 -0.716246 -0.939441
C -0.546774 -1.756054 -0.137321
C 1.534516 -2.049612 1.065099
C 0.191414 -2.432388 0.853255
C 4.658549 1.350319 -0.915406
C 4.566654 -0.699837 1.078911
C 5.797526 1.057482 -0.124129
C 5.750770 0.041143 0.863793
C -3.340322 0.250577 0.538938
C -3.802524 0.845359 -0.669789
C -2.773384 1.081527 1.546956
C -3.172439 3.082225 0.165048
C -3.701763 2.237299 -0.849428
C -2.716117 2.478106 1.366070
C -3.128331 4.588213 -0.018968
H 1.682674 1.730784 -1.300170
H 2.214523 0.533133 -2.497389
H -0.658575 -0.252719 -1.711389
H 2.136359 -2.567666 1.818934
H -0.268600 -3.254779 1.411015
H 4.704352 2.136436 -1.677591
H 4.537781 -1.484258 1.843456
H 6.724938 1.620530 -0.276770
H 6.642493 -0.170203 1.464065
H -3.290463 -1.488286 1.671182
H -4.237354 0.202460 -1.440537
H -2.392079 0.631121 2.472577
H -4.059488 2.682914 -1.785592
H -2.298888 3.107936 2.161018
H -2.354125 5.053568 0.615857
H -2.923624 4.863672 -1.068806
H -4.097756 5.049089 0.254723


