%chk=000218749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218749

0 1
S 8.077483 1.150547 -0.742204
S 8.747203 0.397611 1.052244
O -3.090409 -0.809601 -0.367046
O 9.000708 -1.181233 0.556162
O 10.036183 0.928755 1.341692
O 7.675566 0.364158 1.988960
O -9.269136 -0.557306 0.192889
O -8.698084 1.281111 1.182297
N 4.195674 -0.072632 -0.575897
N -4.719830 0.618600 0.542187
N -8.439952 0.246871 0.586376
C 1.743424 -0.304394 -0.414696
C 0.435989 0.348401 0.049565
C 2.957236 0.548064 -0.009805
C -0.774599 -0.500861 -0.354549
C -2.068345 0.158758 0.104283
C 5.427605 0.670053 -0.160303
C 6.562734 0.189571 -1.061929
C -4.382996 -0.535665 -0.126394
C -5.329668 -1.486893 -0.594367
C -6.666345 -1.228411 -0.359198
C -7.031938 -0.045806 0.327200
C -6.031007 0.852797 0.762035
H 1.737572 -0.436395 -1.516789
H 1.831637 -1.323947 0.007776
H 0.452273 0.487238 1.148984
H 0.348016 1.364331 -0.385259
H 2.862166 1.570892 -0.439201
H 2.994311 0.666118 1.095073
H -0.698056 -1.520956 0.075500
H -0.796508 -0.650796 -1.454074
H 4.265973 -1.048596 -0.263486
H -2.163816 0.246597 1.199314
H -2.272583 1.129433 -0.377443
H 5.681938 0.526086 0.918369
H 5.258188 1.762197 -0.301156
H 6.757865 -0.896296 -0.953987
H 6.309403 0.350584 -2.134588
H -4.988290 -2.378850 -1.116678
H -7.450932 -1.919672 -0.692799
H -6.295596 1.780573 1.298997
H 9.864239 -1.579536 0.759046


%chk=000218749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218749

0 1
S 8.179263 1.269420 -0.933419
S 8.947285 0.247570 1.202177
O -3.165897 -0.942659 -0.396116
O 9.094006 -1.541422 0.673835
O 10.404894 0.789007 1.635386
O 7.721653 0.180259 2.246593
O -9.430539 -0.513018 0.230427
O -8.748433 1.411793 1.258181
N 4.238210 0.080835 -0.459281
N -4.764714 0.532407 0.525544
N -8.512073 0.306272 0.630107
C 1.771332 -0.243832 -0.411462
C 0.409330 0.333909 0.032835
C 2.953943 0.670111 -0.034989
C -0.772922 -0.575971 -0.375084
C -2.112441 0.015339 0.062240
C 5.447789 0.899118 -0.276073
C 6.612218 0.235709 -1.027308
C -4.476895 -0.624982 -0.135440
C -5.465480 -1.549108 -0.586559
C -6.808218 -1.248859 -0.336827
C -7.111853 -0.044040 0.350754
C -6.072138 0.816459 0.764678
H 1.778601 -0.401315 -1.507214
H 1.913576 -1.241506 0.055142
H 0.408834 0.476384 1.133161
H 0.274096 1.340504 -0.414366
H 2.846056 1.649147 -0.542711
H 2.930569 0.876755 1.063480
H -0.651792 -1.578621 0.077904
H -0.778744 -0.715479 -1.472979
H 4.356391 -0.893003 -0.148296
H -2.191410 0.124689 1.159260
H -2.311163 1.000829 -0.397117
H 5.734870 1.043125 0.791613
H 5.256102 1.901907 -0.703342
H 6.850116 -0.765251 -0.619913
H 6.386793 0.112253 -2.103756
H -5.158238 -2.457010 -1.110007
H -7.619552 -1.908919 -0.653612
H -6.300780 1.745174 1.294865
H 9.992648 -1.652480 0.244789


