%chk=000186419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186419

0 1
S 0.130471 -1.264075 0.245918
O -0.915926 1.848320 2.494628
O 0.033908 -1.923941 1.529423
O 0.755661 -1.958347 -0.866204
O -6.050887 0.995257 -0.782748
O -5.723145 -0.028747 -2.660726
N 0.919994 0.237814 0.517280
N -5.373217 0.334751 -1.550767
C 0.546788 1.875332 2.374378
C 1.218674 0.586547 1.928581
C -0.316584 2.728721 1.489952
C 1.848467 0.855016 -0.479741
C 3.273515 0.328945 -0.355454
C 1.315576 0.697142 -1.904253
C -1.464073 -0.773918 -0.271438
C 4.268827 1.189011 0.134629
C 3.612792 -0.979578 -0.720862
C -2.280431 -0.030945 0.580859
C -1.913960 -1.163288 -1.537584
C 5.586980 0.742340 0.258606
C 4.931849 -1.424733 -0.594191
C -3.567544 0.336577 0.168069
C -3.194578 -0.804961 -1.963645
C 5.920877 -0.566494 -0.104501
C -4.006568 -0.055129 -1.100741
H 1.024532 2.336195 3.249726
H 0.879803 -0.235575 2.619145
H 2.320374 0.676383 2.094495
H -0.523694 2.436899 0.461710
H -0.441323 3.789387 1.696110
H 1.852851 1.959119 -0.238129
H 1.945377 1.258643 -2.607723
H 0.292468 1.072294 -2.008132
H 1.332951 -0.350247 -2.252419
H 4.021768 2.211164 0.414972
H 2.844291 -1.662381 -1.106893
H -1.923396 0.286551 1.578015
H -1.264631 -1.754230 -2.198065
H 6.354904 1.414379 0.637350
H 5.186330 -2.445209 -0.878499
H -4.222206 0.919513 0.826254
H -3.567299 -1.102099 -2.949898
H 6.947335 -0.915102 -0.006786


%chk=000186419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186419

0 1
S 0.050631 -1.316458 0.278215
O -0.835268 1.756936 2.696665
O -0.151652 -1.933474 1.774912
O 0.702978 -2.258943 -0.892433
O -6.202500 1.069501 -1.034561
O -5.879996 -0.215705 -2.891264
N 0.880554 0.424266 0.542437
N -5.493347 0.275877 -1.762891
C 0.675460 1.735053 2.649302
C 1.334164 0.551790 1.946922
C -0.069250 2.816422 1.931185
C 1.859696 0.889826 -0.509673
C 3.301216 0.377619 -0.373643
C 1.289530 0.727385 -1.935682
C -1.641241 -0.775337 -0.365821
C 4.337628 1.305351 -0.095256
C 3.633274 -0.993546 -0.534440
C -2.414592 0.082378 0.436493
C -2.063262 -1.310730 -1.593702
C 5.681912 0.881844 0.015347
C 4.975277 -1.417327 -0.418128
C -3.697747 0.430815 -0.034763
C -3.347796 -0.960666 -2.058625
C 6.003735 -0.484652 -0.144581
C -4.137783 -0.096261 -1.269916
H 1.130160 1.975329 3.621380
H 1.063961 -0.371171 2.502434
H 2.436077 0.658569 2.002742
H -0.183268 2.736280 0.843684
H -0.123546 3.822709 2.362564
H 1.888501 1.982801 -0.301109
H 1.924105 1.288532 -2.642714
H 0.263495 1.133448 -1.992157
H 1.278654 -0.327264 -2.255241
H 4.094006 2.369145 0.028002
H 2.844463 -1.724989 -0.747597
H -2.023501 0.484879 1.380295
H -1.406210 -1.981028 -2.156466
H 6.470433 1.612408 0.227696
H 5.218714 -2.478457 -0.542075
H -4.351674 1.096526 0.533947
H -3.741178 -1.342223 -3.003991
H 7.043092 -0.820156 -0.056796


