%chk=000147317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000147317

1 1
S -2.013591 0.645581 -1.533741
O -7.111993 0.134173 -0.336549
N -1.712456 -0.418007 0.814876
N 6.738280 0.054169 -0.338915
N 0.368152 0.168722 -0.509755
N 1.224925 -0.236321 0.374900
C -3.123796 -0.319229 0.614680
C -3.457041 0.247546 -0.634696
C -0.979906 0.051327 -0.232647
C -4.144843 -0.718136 1.510281
C -4.773732 0.437672 -1.038236
C -1.118944 -0.976206 2.042236
C -5.771758 0.036932 -0.138891
C -5.457493 -0.539622 1.132386
C 5.390485 -0.003316 -0.194355
C 2.555828 -0.124644 0.110615
C 4.793320 -0.543013 1.006774
C 4.509274 0.473201 -1.236708
C 3.437031 -0.600150 1.150693
C 3.154321 0.413442 -1.087075
C 7.660665 -0.427699 0.714527
C 7.371913 0.602790 -1.559767
C -7.593441 0.701708 -1.586270
H -3.893908 -1.157126 2.478076
H -5.012391 0.875877 -2.004489
H -0.480601 -1.852921 1.804751
H -0.471895 -0.224589 2.541111
H -1.891457 -1.298088 2.763073
H -6.286490 -0.829952 1.785331
H 5.433228 -0.909581 1.809070
H 4.930388 0.885309 -2.153497
H 2.988972 -1.009921 2.062644
H 2.485710 0.775204 -1.878498
H 8.716762 -0.298650 0.414365
H 7.509768 -1.505568 0.916376
H 7.519970 0.134489 1.657636
H 8.474621 0.566189 -1.492109
H 7.090649 1.662148 -1.715238
H 7.081654 0.022451 -2.456698
H -8.683799 0.642594 -1.442116
H -7.278698 0.083176 -2.431539
H -7.269479 1.741937 -1.681711


%chk=000147317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147317

1 1
S -1.981946 0.650634 -1.597306
O -7.164367 0.155268 -0.356454
N -1.700343 -0.421733 0.810889
N 6.764247 0.071920 -0.362672
N 0.392844 0.130311 -0.470573
N 1.222661 -0.315097 0.503259
C -3.103927 -0.322766 0.622898
C -3.458196 0.239373 -0.635523
C -0.941891 0.040452 -0.247250
C -4.130030 -0.710730 1.522544
C -4.791551 0.429800 -1.033034
C -1.100433 -0.978754 2.050083
C -5.805177 0.037052 -0.122489
C -5.464425 -0.528574 1.144833
C 5.405077 -0.013947 -0.174121
C 2.566930 -0.184570 0.208225
C 4.853593 -0.569442 1.040503
C 4.483325 0.452149 -1.190803
C 3.478316 -0.648661 1.218491
C 3.111830 0.369491 -1.006252
C 7.701490 -0.408496 0.677794
C 7.322926 0.643883 -1.609332
C -7.612481 0.727730 -1.638199
H -3.908321 -1.146623 2.499754
H -5.030258 0.863505 -2.006751
H -0.482739 -1.856135 1.808262
H -0.453952 -0.226888 2.525958
H -1.906363 -1.267526 2.737462
H -6.280769 -0.816001 1.812659
H 5.513706 -0.932183 1.830953
H 4.867686 0.877126 -2.120977
H 3.057577 -1.068661 2.137570
H 2.419906 0.722313 -1.776069
H 8.734561 -0.251258 0.337932
H 7.563499 -1.488191 0.870982
H 7.563381 0.143916 1.625308
H 8.420391 0.623567 -1.557667
H 7.005060 1.693789 -1.744866
H 7.009900 0.058557 -2.493198
H -8.709185 0.717519 -1.582916
H -7.272886 0.105035 -2.486652
H -7.251463 1.766744 -1.752354


