%chk=000282111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282111

0 1
O -0.571590 4.172097 0.753494
O -2.042513 1.630816 -1.897382
O 0.407770 2.531573 1.962083
O -2.739149 1.812927 0.252218
O -2.428111 -4.483103 0.231342
O -2.126660 -3.413314 -1.622804
N 2.462590 2.150339 -0.968191
N -2.019223 -3.529270 -0.410878
C 0.437812 0.810420 -0.501105
C 1.941541 1.017267 -0.150809
C -0.365641 2.130358 -0.355232
C -0.161990 -0.327352 0.298046
C 2.725548 -0.268107 -0.357796
C -0.119997 2.889019 0.935251
C -1.845612 1.854407 -0.553201
C -0.790925 -1.370870 -0.393674
C -0.103912 -0.369776 1.700518
C 3.405290 -0.840164 0.726445
C 2.792774 -0.880304 -1.617713
C -1.349790 -2.436228 0.326180
C -0.662722 -1.439740 2.406408
C -1.290631 -2.484412 1.726890
C 4.146651 -2.012424 0.551014
C 3.534471 -2.052057 -1.789710
C 4.213281 -2.619776 -0.706503
C -0.468486 5.072901 1.891515
C -3.393272 1.284692 -2.312824
H 0.373581 0.548311 -1.595442
H 2.010657 1.330446 0.932075
H -0.014076 2.815443 -1.193617
H 2.611294 1.873861 -1.935452
H 3.361906 2.461731 -0.608445
H -0.856329 -1.368295 -1.487477
H 0.373501 0.452060 2.252121
H 3.355370 -0.377098 1.711318
H 2.263066 -0.452439 -2.466910
H -0.612619 -1.454343 3.496186
H -1.733612 -3.328030 2.265445
H 4.671323 -2.453906 1.397417
H 3.580578 -2.526339 -2.769381
H 4.789121 -3.533854 -0.841956
H -1.197592 4.768442 2.649204
H -0.719934 6.042233 1.447225
H 0.549187 5.055805 2.294461
H -4.123581 1.939920 -1.825574
H -3.577040 0.235987 -2.058324
H -3.359006 1.443344 -3.396056


%chk=000282111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282111

0 1
O -0.664842 4.186311 0.773513
O -1.932056 1.492568 -1.993917
O 0.395355 2.526474 1.999637
O -2.735198 1.988218 0.138835
O -3.034519 -4.216971 0.242393
O -2.792001 -2.935979 -1.627477
N 2.503612 2.135964 -0.999464
N -2.534921 -3.207083 -0.387915
C 0.499865 0.782976 -0.466819
C 2.016199 1.004165 -0.163099
C -0.299486 2.134239 -0.370842
C -0.141823 -0.358794 0.326012
C 2.836279 -0.282358 -0.345988
C -0.140244 2.912514 0.934970
C -1.783667 1.891391 -0.662931
C -0.983305 -1.264095 -0.358369
C 0.041458 -0.533148 1.724289
C 3.684538 -0.739984 0.692459
C 2.815746 -1.002486 -1.569714
C -1.625378 -2.299884 0.350476
C -0.594529 -1.590063 2.413891
C -1.440029 -2.490760 1.735765
C 4.495455 -1.884541 0.517376
C 3.622390 -2.146308 -1.749782
C 4.467644 -2.591995 -0.705804
C -0.650219 5.053139 1.976743
C -3.308650 1.114139 -2.409811
H 0.416079 0.512636 -1.538412
H 2.110663 1.331285 0.886469
H 0.110268 2.787686 -1.162951
H 2.615705 1.876980 -1.988847
H 3.372811 2.546364 -0.639268
H -1.152001 -1.174583 -1.435564
H 0.661553 0.177225 2.277020
H 3.708805 -0.196707 1.645943
H 2.162508 -0.676323 -2.390187
H -0.437248 -1.704440 3.491225
H -1.951570 -3.311158 2.245427
H 5.143700 -2.225004 1.332727
H 3.590005 -2.693776 -2.698595
H 5.092540 -3.481184 -0.844143
H -1.234105 4.582606 2.784872
H -1.113062 5.993567 1.648249
H 0.386317 5.214387 2.317203
H -4.030718 1.876683 -2.075715
H -3.572241 0.135714 -1.973529
H -3.264385 1.053592 -3.505954


