%chk=000228161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228161

0 1
S 2.765276 3.024446 0.165966
O 3.620092 3.717860 1.109248
O 2.551847 3.572663 -1.145848
O 2.994447 -3.470653 -1.823112
O -5.487476 -1.436896 2.853863
O -4.476478 0.465651 2.946391
N 1.237829 3.055408 1.034747
N 4.269633 -2.703594 -0.057051
N 0.264478 2.301415 0.483784
N -4.991107 -0.451449 2.327310
C 3.185423 1.372212 0.083251
C 3.878708 -1.337714 -0.046660
C 4.110436 0.839141 0.992961
C 2.612723 0.541390 -0.890836
C 4.464168 -0.503370 0.938344
C 2.951738 -0.806146 -0.963579
C -4.197416 0.463640 0.104065
C -5.044822 -0.380836 0.852675
C -4.331355 0.461574 -1.299327
C -3.199656 1.334166 0.736985
C -5.983739 -1.213764 0.211253
C 3.800827 -3.709933 -0.953329
C -5.268480 -0.353355 -1.929342
C -6.097123 -1.196682 -1.174111
C -1.929739 1.422838 0.311536
C -0.953017 2.300816 0.966459
C 4.405355 -5.059367 -0.700350
H 4.564351 1.488877 1.753162
H 1.889184 0.953978 -1.605730
H 5.183838 -0.900353 1.649772
H 2.497899 -1.446730 -1.729477
H 1.063432 3.698433 1.821154
H 4.951686 -2.977178 0.656437
H -3.693481 1.117893 -1.894162
H -3.562951 1.901248 1.605662
H -6.616823 -1.873212 0.816900
H -5.359385 -0.337839 -3.017312
H -6.825597 -1.836146 -1.671797
H -1.557676 0.837271 -0.536423
H -1.312049 2.893002 1.817806
H 4.168863 -5.450646 0.299103
H 4.005813 -5.789921 -1.426983
H 5.497924 -5.065639 -0.818204


%chk=000228161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228161

0 1
S 2.604490 2.753827 0.215932
O 3.509802 3.663709 1.215016
O 2.131272 3.266355 -1.249929
O 4.194951 -3.624325 -2.276156
O -7.371269 0.299627 2.837582
O -5.609730 1.730764 2.830690
N 1.066232 2.397508 1.349945
N 5.091584 -2.754484 -0.286565
N 0.039962 1.796744 0.710305
N -6.332774 0.817484 2.264632
C 3.341890 1.048896 0.050228
C 4.476212 -1.479522 -0.216731
C 4.235330 0.617373 1.045276
C 2.996874 0.275012 -1.068606
C 4.805620 -0.658738 0.901090
C 3.569525 -1.005092 -1.207068
C -4.699306 0.538994 0.292175
C -5.990215 0.344190 0.897116
C -4.554155 0.005747 -1.029280
C -3.569393 1.214070 0.942229
C -7.039656 -0.336725 0.230807
C 4.943697 -3.750309 -1.267759
C -5.592109 -0.661218 -1.697235
C -6.849513 -0.837292 -1.066164
C -2.262941 1.179343 0.499880
C -1.204564 1.892551 1.172285
C 5.773930 -5.002592 -0.995641
H 4.486932 1.266205 1.889662
H 2.307844 0.668362 -1.822079
H 5.511169 -1.020447 1.659035
H 3.328894 -1.640039 -2.060737
H 0.925537 3.238964 1.952557
H 5.727540 -2.978386 0.483226
H -3.601259 0.145876 -1.547624
H -3.796692 1.778281 1.849600
H -7.990447 -0.460087 0.754838
H -5.428906 -1.038073 -2.712465
H -7.666628 -1.350844 -1.581767
H -1.949410 0.601254 -0.377903
H -1.452209 2.484287 2.073656
H 5.469035 -5.486827 -0.049362
H 5.618527 -5.712400 -1.820169
H 6.851924 -4.765522 -0.929320


