%chk=000201604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201604

0 1
S -0.442646 -1.942969 0.002994
O -1.081297 -3.044690 -0.689770
O 0.236029 -2.153705 1.259615
N 0.692437 -1.373551 -1.169205
C -1.552240 -0.638464 0.157079
C 1.742811 -0.447879 -0.946069
C -2.767068 -0.676951 -0.539118
C -1.258978 0.455283 0.979955
C -3.383483 1.473860 0.398302
C 2.157793 -0.108600 0.354719
C 3.168883 0.843086 0.531992
C -3.679244 0.370491 -0.422199
C -2.166080 1.507352 1.101312
C 2.360203 0.148302 -2.068319
C 3.769803 1.453351 -0.582458
C 3.366712 1.092552 -1.869345
C -4.360192 2.592152 0.537643
C 3.623536 1.209146 1.908305
H 0.650361 -1.771168 -2.117483
H -3.006675 -1.538784 -1.174505
H -0.315347 0.489319 1.536513
H 1.746034 -0.622187 1.227876
H -4.621973 0.331582 -0.964904
H -1.930245 2.354666 1.742678
H 2.056723 -0.119080 -3.074863
H 4.551567 2.193152 -0.443250
H 3.843586 1.556169 -2.733579
H -3.867261 3.565615 0.671989
H -5.023427 2.687724 -0.333412
H -5.006288 2.436346 1.416607
H 3.062840 0.687184 2.695471
H 4.684227 0.954906 2.052371
H 3.519997 2.287188 2.092157


%chk=000201604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201604

0 1
S -0.419280 -2.155428 0.254314
O -1.191979 -3.405675 -0.440071
O 0.228921 -2.221559 1.740270
N 1.067678 -1.818131 -0.958279
C -1.575014 -0.657926 0.211341
C 1.766062 -0.590679 -0.784689
C -2.645370 -0.676177 -0.698351
C -1.323711 0.409220 1.089389
C -3.290996 1.555261 0.135718
C 2.536346 -0.405953 0.397591
C 3.284839 0.776471 0.594473
C -3.503944 0.444546 -0.724395
C -2.194294 1.519793 1.037857
C 1.745379 0.423696 -1.782636
C 3.273701 1.771093 -0.422256
C 2.521399 1.587647 -1.604249
C -4.238688 2.740310 0.116710
C 4.123928 0.959645 1.847668
H 0.642131 -1.946703 -1.894674
H -2.814947 -1.548218 -1.338698
H -0.490724 0.362673 1.797612
H 2.545843 -1.204955 1.146148
H -4.352280 0.453558 -1.418415
H -2.019974 2.367610 1.710187
H 1.137360 0.292612 -2.686626
H 3.860679 2.687366 -0.286438
H 2.524255 2.361785 -2.379660
H -3.718093 3.680791 0.367476
H -4.715897 2.863774 -0.870744
H -5.048958 2.605784 0.859233
H 3.752652 0.334806 2.677785
H 5.177011 0.671898 1.663161
H 4.127063 2.012462 2.182347


