%chk=000210054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210054

0 1
S -2.315793 -0.286442 -2.493346
O 5.813493 -0.468527 1.051366
O -0.956242 0.307755 2.294235
N 3.375487 0.651305 0.086944
N 0.617607 0.683644 0.696828
N 0.204518 0.444677 -1.661158
C -2.995327 -0.327643 0.009066
C -3.805804 -0.451544 1.254800
C -5.109134 -1.223433 0.989751
C -5.798045 -0.752977 -0.301238
C -4.900142 -0.960185 -1.539540
C -3.512611 -0.541043 -1.237762
C -1.599227 0.046953 -0.024377
C 2.441643 1.149201 -0.971174
C -1.089989 0.113277 -1.324679
C 4.637856 1.461545 0.108862
C 3.694012 -0.800301 -0.125199
C 1.023965 0.724496 -0.639684
C 5.531941 0.931209 1.242927
C 4.614002 -1.268096 1.013269
C -0.736642 0.326590 1.101302
H -3.212555 -0.942165 2.057007
H -4.027141 0.565389 1.646070
H -4.888356 -2.306564 0.919710
H -5.794774 -1.103055 1.848828
H -6.057354 0.320067 -0.211623
H -6.752207 -1.293124 -0.439380
H -5.316359 -0.397269 -2.399936
H -4.912596 -2.031348 -1.838255
H 2.464724 2.266009 -1.005653
H 2.699533 0.808115 -2.004359
H 4.375579 2.523452 0.302937
H 5.192352 1.424669 -0.853937
H 4.178429 -0.997547 -1.106371
H 2.743710 -1.376909 -0.108125
H 6.539806 1.382568 1.223024
H 5.065846 1.074866 2.233924
H 4.113087 -1.216214 1.996161
H 5.010664 -2.283964 0.837893
H 1.309045 0.868863 1.439090


%chk=000210054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210054

0 1
S -2.428248 -0.135366 -2.625261
O 5.770707 -0.345721 1.310117
O -0.785961 0.054313 2.223296
N 3.388206 0.628987 -0.025718
N 0.715805 0.490517 0.477607
N 0.184458 0.447953 -1.849066
C -2.957521 -0.343375 -0.003915
C -3.723697 -0.569058 1.287306
C -5.074303 -1.277984 1.024269
C -5.828311 -0.639115 -0.166843
C -5.022148 -0.787581 -1.486366
C -3.574172 -0.448071 -1.242108
C -1.553824 -0.006017 -0.109485
C 2.495731 1.027673 -1.138500
C -1.096764 0.142967 -1.441554
C 4.592306 1.491289 0.125342
C 3.777308 -0.810069 -0.092448
C 1.056836 0.618943 -0.855769
C 5.370987 1.068909 1.382803
C 4.575253 -1.192642 1.163993
C -0.587295 0.165410 0.975202
H -3.099700 -1.143746 1.994148
H -3.897593 0.408817 1.780238
H -4.893346 -2.349504 0.804320
H -5.698364 -1.237222 1.936587
H -5.993291 0.436250 0.041819
H -6.823618 -1.105114 -0.292139
H -5.453604 -0.136155 -2.270967
H -5.108490 -1.828289 -1.862468
H 2.531359 2.130342 -1.238818
H 2.785071 0.604440 -2.125013
H 4.270466 2.545047 0.225210
H 5.263979 1.414137 -0.763035
H 4.394716 -1.010311 -1.000536
H 2.863472 -1.429898 -0.156795
H 6.310303 1.637812 1.476157
H 4.742003 1.235867 2.284016
H 3.930178 -1.091586 2.063666
H 4.951204 -2.226203 1.095262
H 1.496905 0.609658 1.143646


