%chk=000297091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297091

0 1
S 8.167643 0.329258 1.450649
O -1.102395 1.962158 -0.365929
O -2.050231 -1.468626 -0.319925
O -3.045270 3.069409 -0.034042
O 5.973220 -1.602040 1.577712
O -8.375551 -0.434763 0.811426
N 1.762935 -1.025029 -0.837935
N -2.973644 0.678765 -0.105580
C -0.628272 0.563299 -0.460558
C 0.364056 0.351612 0.677549
C 0.002493 0.403816 -1.839802
C 1.092226 -0.990404 0.503848
C 0.739940 -0.941701 -1.934179
C -1.921657 -0.273695 -0.292394
C 2.598361 -2.262633 -0.998220
C -2.471252 2.026010 -0.152434
C 3.832890 -2.215907 -0.084250
C -4.367758 0.356766 0.110144
C 4.745830 -1.029895 -0.405745
C -4.870858 -0.877678 -0.325916
C -5.207058 1.287466 0.761609
C 5.861907 -0.888164 0.601191
C -6.214612 -1.197738 -0.113129
C -6.542356 0.979282 0.971056
C 6.838103 0.182733 0.352205
C -7.038346 -0.268453 0.531531
C 6.911338 1.145329 -0.620621
C 8.055281 2.002484 -0.472135
C 8.832165 1.680914 0.607381
C -9.001116 -1.677343 0.408883
H 1.097604 1.189629 0.666708
H -0.131441 0.401010 1.665289
H 0.716817 1.243630 -1.998448
H -0.750284 0.494243 -2.644828
H 1.878230 -1.086515 1.287315
H 0.376435 -1.830894 0.653049
H 0.003078 -1.777052 -1.905584
H 1.267889 -1.000545 -2.910697
H 2.930685 -2.315644 -2.059085
H 2.027653 -3.196420 -0.798305
H 4.398024 -3.164927 -0.181628
H 3.529794 -2.168654 0.983796
H 5.161692 -1.125594 -1.428278
H 4.139088 -0.093719 -0.426874
H -4.219509 -1.603953 -0.820773
H -4.816765 2.255572 1.091586
H -6.593990 -2.158005 -0.448992
H -7.215542 1.678200 1.466117
H 6.198365 1.272856 -1.424646
H 8.257181 2.813329 -1.158853
H 9.737904 2.164503 0.935343
H -10.033341 -1.528159 0.753159
H -8.963556 -1.787633 -0.678520
H -8.535321 -2.522389 0.923759


%chk=000297091-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297091

0 1
S 8.080924 0.773113 1.626285
O -1.111061 1.987242 -0.488669
O -2.046584 -1.487950 -0.178519
O -3.150050 3.098106 -0.265925
O 5.765524 -1.175813 1.915938
O -8.436195 -0.470735 0.864636
N 1.767794 -1.129246 -0.742720
N -2.986768 0.705413 -0.148556
C -0.641424 0.555132 -0.482293
C 0.379225 0.388232 0.663809
C 0.020380 0.262087 -1.846288
C 1.111861 -0.967927 0.582300
C 0.761789 -1.091326 -1.836154
C -1.938414 -0.240006 -0.254727
C 2.627785 -2.341953 -0.820226
C -2.498434 2.045941 -0.298038
C 3.897376 -2.239377 0.051567
C -4.376065 0.388649 0.084275
C 4.745839 -1.005345 -0.307677
C -4.944628 -0.763813 -0.502407
C -5.166559 1.224986 0.914751
C 5.794845 -0.662925 0.753511
C -6.296612 -1.089365 -0.263725
C -6.514250 0.908618 1.144728
C 6.834736 0.317840 0.388785
C -7.086857 -0.250089 0.560836
C 7.039459 1.018905 -0.803620
C 8.162082 1.912549 -0.766386
C 8.823388 1.898486 0.457788
C -9.077727 -1.655147 0.286070
H 1.114254 1.207120 0.562105
H -0.119896 0.493490 1.644191
H 0.746236 1.074153 -2.033495
H -0.734008 0.281118 -2.654123
H 1.883304 -0.990498 1.370622
H 0.396116 -1.800746 0.784040
H 0.024680 -1.925351 -1.746571
H 1.289479 -1.210827 -2.800193
H 2.924277 -2.462145 -1.881083
H 2.060423 -3.263298 -0.535479
H 4.490525 -3.164252 -0.080058
H 3.643401 -2.200499 1.125740
H 5.238856 -1.138138 -1.290375
H 4.061289 -0.137659 -0.421945
H -4.334818 -1.418173 -1.129310
H -4.736339 2.125441 1.359232
H -6.714159 -1.989024 -0.724620
H -7.143093 1.543648 1.775305
H 6.397813 0.898343 -1.679805
H 8.469528 2.539210 -1.606788
H 9.700331 2.471524 0.756379
H -10.112625 -1.630996 0.656921
H -9.076432 -1.612555 -0.820611
H -8.581819 -2.586065 0.623571


