%chk=000198813.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198813

0 1
S 5.513194 0.417710 0.192114
O 5.844549 1.779687 0.578518
O 6.032522 -0.692216 0.972650
O -6.185162 0.575083 0.022613
N -2.649648 0.363452 0.007895
N -1.089724 -1.221214 -0.528213
N -3.874155 0.927404 0.187924
C 0.996654 0.057044 -0.032737
C -0.462240 -0.058074 -0.104168
C 3.784600 0.277256 0.103193
C -2.428727 -0.979226 -0.468452
C -1.412391 0.941563 0.235183
C 1.610170 1.319293 -0.128720
C 1.788176 -1.092385 0.140509
C 3.000371 1.422830 -0.053783
C 3.176999 -0.976361 0.214468
C -3.576709 -1.779062 -0.776438
C 6.027530 0.191303 -1.471509
C -4.814343 -1.237827 -0.604290
C -4.913127 0.125909 -0.116687
C -6.370472 1.939384 0.513700
H -1.267125 1.939930 0.607063
H 1.006926 2.215185 -0.263562
H 1.309580 -2.071835 0.215851
H 3.474754 2.409717 -0.106695
H 3.787577 -1.871993 0.374690
H -3.411887 -2.797746 -1.138950
H 7.120292 0.270045 -1.578275
H 5.767926 -0.793689 -1.878088
H 5.615136 0.937330 -2.161374
H -5.738671 -1.775883 -0.813363
H -5.942091 2.036367 1.516608
H -7.464255 2.015712 0.523422
H -5.914026 2.651407 -0.181399


%chk=000198813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198813

0 1
S 5.630324 0.284128 0.160995
O 6.003587 1.683288 0.929117
O 6.190007 -1.172712 0.659208
O -6.253109 0.613703 -0.033552
N -2.701852 0.321241 -0.013626
N -1.138163 -1.332038 -0.218433
N -3.936345 0.945483 0.052370
C 0.954871 0.018945 0.008389
C -0.511693 -0.092761 -0.032989
C 3.743067 0.176086 0.069653
C -2.470125 -1.078865 -0.203082
C -1.471560 0.940720 0.094533
C 1.600172 1.274738 0.185823
C 1.743555 -1.159090 -0.116992
C 3.006434 1.362724 0.221106
C 3.150535 -1.089110 -0.082113
C -3.615990 -1.912659 -0.336519
C 6.191422 0.492554 -1.660563
C -4.875723 -1.328270 -0.276773
C -4.974175 0.097884 -0.081489
C -6.382631 2.074367 0.165913
H -1.392332 2.011413 0.250481
H 1.007492 2.188237 0.303026
H 1.228045 -2.116686 -0.234027
H 3.522327 2.313626 0.391742
H 3.772993 -1.988357 -0.139494
H -3.474637 -2.985747 -0.481774
H 7.287093 0.561625 -1.608730
H 5.856318 -0.401331 -2.204206
H 5.733534 1.418719 -2.033879
H -5.798252 -1.903664 -0.371175
H -5.923863 2.374512 1.123531
H -7.466941 2.253034 0.171347
H -5.892183 2.620365 -0.658120


