%chk=000213082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213082

0 1
O 0.880500 -1.926706 -0.236007
O 2.160932 1.439466 0.650829
O -0.891041 -3.313407 0.239746
O 3.246097 2.428354 -1.113370
N 0.184267 -3.363508 -1.826188
N 3.976036 2.708689 1.079669
C -1.274371 0.212101 0.005483
C -2.286757 -0.502980 0.923273
C -1.763633 1.648011 -0.281563
C 0.141348 0.231538 0.640541
C -3.687742 -0.512860 0.296530
C -3.157889 1.638107 -0.921781
C -4.171094 0.905769 -0.031751
C 0.661082 -1.168107 0.996196
C 1.148411 0.923162 -0.285864
C -0.035327 -2.922702 -0.527141
C 3.155507 2.209993 0.076525
H -1.215814 -0.348465 -0.959760
H -2.321108 -0.010001 1.911515
H -1.967427 -1.552393 1.104103
H -1.051106 2.172164 -0.949012
H -1.788818 2.232449 0.657815
H 0.094897 0.817461 1.598788
H -4.399120 -1.005719 0.985402
H -3.679448 -1.130232 -0.622899
H -3.112229 1.152389 -1.915541
H -3.494028 2.675930 -1.103273
H -5.155289 0.863813 -0.533532
H -4.327421 1.474553 0.904602
H -0.020643 -1.724899 1.665852
H 1.681377 -1.129961 1.423227
H 1.653178 0.232357 -0.984048
H 0.728234 1.781241 -0.842427
H 1.004054 -3.062211 -2.332118
H -0.229531 -4.238850 -2.114412
H 3.887322 2.379455 2.027531
H 4.850294 3.142100 0.822264


%chk=000213082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213082

0 1
O 0.924804 -1.706532 -0.287733
O 2.266311 1.356356 0.710608
O -0.609406 -3.411444 0.298873
O 3.272321 2.530265 -1.071559
N 0.582430 -3.429319 -1.721858
N 4.419480 2.056076 0.922656
C -1.368557 0.287576 0.017357
C -2.385159 -0.454198 0.932610
C -1.938712 1.677966 -0.384061
C 0.031848 0.390414 0.708392
C -3.793702 -0.547468 0.300867
C -3.351707 1.579381 -1.008029
C -4.341924 0.846242 -0.076173
C 0.664917 -0.988688 0.991707
C 1.013099 1.265875 -0.090600
C 0.217838 -2.904240 -0.500984
C 3.327253 2.031874 0.080024
H -1.246682 -0.307686 -0.914207
H -2.455611 0.092588 1.898104
H -2.027636 -1.475662 1.154876
H -1.269672 2.182270 -1.107122
H -1.981993 2.323458 0.519999
H -0.110094 0.869095 1.702197
H -4.481991 -1.058783 1.001478
H -3.741520 -1.179037 -0.610196
H -3.285678 1.028351 -1.969576
H -3.723644 2.594686 -1.248087
H -5.332692 0.755605 -0.562633
H -4.489475 1.444989 0.847034
H 0.022250 -1.621662 1.624950
H 1.654511 -0.864125 1.458520
H 1.248296 0.822540 -1.074510
H 0.636200 2.290216 -0.240250
H 1.272791 -2.956673 -2.300189
H 0.163047 -4.304891 -2.020325
H 4.373538 1.627840 1.843698
H 5.268622 2.512843 0.603347


