%chk=000241731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241731

0 1
S -0.312524 1.848833 -0.627147
O 0.346292 2.601710 0.416843
O -0.750755 2.494656 -1.847777
O 1.776762 -1.584273 -2.235510
N 0.763619 0.631278 -1.195944
C -1.616450 0.957465 0.055408
C 1.655850 -0.122275 -0.397996
C -1.562521 0.528529 1.386615
C -2.743828 0.666969 -0.722642
C -3.750923 -0.493508 1.154742
C 2.209354 -1.329061 -0.943077
C -2.621034 -0.194001 1.936291
C -3.806468 -0.054148 -0.180119
C 2.024787 0.241956 0.899681
C 3.068740 -2.132043 -0.204748
C -4.890773 -1.254632 1.742985
C 2.888130 -0.576098 1.645521
C 3.402161 -1.749728 1.106010
C 2.482769 -2.604636 -2.979606
H 0.810321 0.421473 -2.206272
H -0.689669 0.764612 2.005737
H -2.796748 1.014814 -1.761453
H -2.571398 -0.524161 2.972252
H -4.680099 -0.274345 -0.790696
H 1.679256 1.187354 1.334113
H 3.480740 -3.047133 -0.618781
H -5.434061 -1.847293 0.993633
H -4.571053 -1.951281 2.530728
H -5.621399 -0.567783 2.199704
H 3.160251 -0.271993 2.655195
H 4.070612 -2.378203 1.690212
H 3.550147 -2.371886 -3.033819
H 2.011360 -2.528012 -3.967862
H 2.301752 -3.587157 -2.534323


%chk=000241731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241731

0 1
S -0.117697 2.257649 -0.521960
O 0.387176 2.984231 0.840259
O -0.691481 3.071216 -1.807102
O 1.213297 -1.325284 -1.898743
N 1.462641 1.314897 -1.221806
C -1.420087 0.981280 -0.010952
C 1.998213 0.322861 -0.365238
C -1.387435 0.482318 1.301265
C -2.375237 0.590465 -0.963768
C -3.357688 -0.896111 0.744054
C 1.903765 -1.068254 -0.703956
C -2.367606 -0.466820 1.667299
C -3.347635 -0.354191 -0.569818
C 2.672024 0.697316 0.825992
C 2.494236 -2.049659 0.119956
C -4.431026 -1.883981 1.163384
C 3.235930 -0.286672 1.664859
C 3.152878 -1.653036 1.308576
C 1.088906 -2.719275 -2.332523
H 1.117336 0.921971 -2.119117
H -0.636783 0.841002 2.012476
H -2.371402 1.031188 -1.966141
H -2.365613 -0.872435 2.685562
H -4.112023 -0.669381 -1.289581
H 2.740727 1.762179 1.066640
H 2.440278 -3.110671 -0.142117
H -4.776728 -2.495523 0.311832
H -4.070953 -2.565776 1.953232
H -5.315428 -1.353195 1.566039
H 3.753103 0.012167 2.582134
H 3.606348 -2.416700 1.949867
H 2.083963 -3.168003 -2.514485
H 0.520611 -2.679366 -3.272970
H 0.536590 -3.320410 -1.585252


