%chk=000299069.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299069

0 1
S 0.935585 0.311905 -0.789645
O -1.081980 2.051221 -0.612386
O 1.655678 -1.812679 0.670588
N 3.341277 -0.358261 0.114322
C -0.676278 -0.215731 -0.369310
C -1.633101 0.823690 -0.333595
C -1.068558 -1.526425 -0.124693
C -2.977977 0.557477 -0.055963
C 2.036387 -0.796023 0.130478
C -2.414863 -1.801818 0.158018
C -3.354027 -0.769091 0.190369
C 3.765217 0.887225 -0.557271
C 4.393155 -1.172281 0.766174
C -1.955328 3.207231 -0.555233
H -0.329081 -2.336346 -0.131184
H -3.718592 1.348002 -0.026655
H -2.721459 -2.826337 0.355675
H -4.398294 -0.993158 0.410640
H 4.837008 1.079783 -0.387801
H 3.207074 1.759875 -0.166414
H 3.604733 0.827365 -1.649870
H 3.947090 -2.078748 1.223157
H 4.887966 -0.599121 1.567108
H 5.147721 -1.498307 0.032181
H -2.366492 3.324371 0.451219
H -2.740046 3.127138 -1.312444
H -1.259617 4.022544 -0.793265


%chk=000299069-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299069

0 1
S 1.015203 0.285205 -1.107570
O -1.175266 2.186221 -0.553823
O 1.548354 -1.483070 0.993276
N 3.397992 -0.345453 0.125164
C -0.680407 -0.166119 -0.569669
C -1.630500 0.875479 -0.360946
C -1.068235 -1.511682 -0.407574
C -2.958319 0.547108 0.012549
C 2.053142 -0.657414 0.192591
C -2.390337 -1.837121 -0.026448
C -3.330064 -0.805584 0.180613
C 3.988582 0.633666 -0.801587
C 4.338489 -1.092401 0.984578
C -2.125235 3.277173 -0.326005
H -0.329023 -2.300778 -0.564165
H -3.699582 1.335223 0.173537
H -2.676345 -2.885478 0.104203
H -4.358909 -1.047124 0.470326
H 4.844921 1.124006 -0.305038
H 3.255346 1.412526 -1.065295
H 4.349090 0.153943 -1.732502
H 3.770226 -1.818104 1.584695
H 4.872173 -0.399930 1.662641
H 5.082033 -1.630618 0.366145
H -2.493756 3.280272 0.718308
H -2.983523 3.217544 -1.023482
H -1.552850 4.196011 -0.520320


