%chk=000180358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180358

0 1
O 1.319926 0.854684 0.682506
O 3.114226 -0.564514 0.457493
O -2.994821 0.164995 0.418254
O -0.741917 1.359081 -1.956669
N 0.960956 -1.369567 0.866589
N -2.599071 0.834223 -0.752287
C 1.268084 -2.809289 0.578109
C -0.488655 -1.132000 0.571550
C -0.019665 -3.515853 1.067472
C -1.155650 -2.475705 0.960103
C 1.568449 -3.045199 -0.915603
C -0.668428 -0.787493 -0.894180
C 0.362189 -2.905365 -1.853437
C -0.253729 -1.541610 -1.925292
C 1.922456 -0.374882 0.613636
C -1.253873 0.549747 -1.200177
C 2.062416 2.086984 0.271668
C -2.996169 2.269651 -0.614763
C -3.109479 2.528079 0.900798
C -3.044328 1.133987 1.529161
C 2.471657 1.917481 -1.182453
C 0.956489 3.125951 0.454274
C 3.233620 2.284023 1.220143
H 2.160443 -3.103195 1.184225
H -0.841483 -0.293223 1.223266
H 0.103530 -3.846542 2.113743
H -0.237029 -4.419118 0.476286
H -1.914344 -2.770224 0.215619
H -1.689084 -2.374161 1.919907
H 2.001739 -4.057457 -1.036844
H 2.371332 -2.342322 -1.231265
H -0.429675 -3.631047 -1.557379
H 0.678827 -3.220097 -2.871597
H -0.387405 -1.169854 -2.950208
H -3.975027 2.395147 -1.126072
H -2.263525 2.936195 -1.120039
H -2.290222 3.175020 1.262190
H -4.050783 3.048592 1.148116
H -2.141586 0.968806 2.139496
H -3.950701 0.836905 2.077812
H 1.604019 1.640623 -1.806186
H 2.892065 2.838510 -1.596324
H 3.225039 1.125386 -1.300640
H 0.535820 3.083815 1.464828
H 0.135507 2.946265 -0.256231
H 1.336159 4.137566 0.281176
H 3.957887 1.455922 1.127182
H 3.769783 3.214800 1.014140
H 2.910028 2.300381 2.266700


%chk=000180358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180358

0 1
O 1.531610 0.834825 0.599267
O 3.310766 -0.722161 0.345676
O -2.909827 0.268611 0.772073
O -1.079270 1.293747 -2.181185
N 1.094393 -1.399642 0.653160
N -2.210402 1.152684 -0.203327
C 1.359400 -2.840205 0.419971
C -0.363276 -1.120982 0.591033
C 0.163444 -3.504375 1.154047
C -0.998241 -2.458540 1.103332
C 1.431528 -3.151314 -1.099947
C -0.754013 -0.744900 -0.848628
C 0.113210 -2.943800 -1.899163
C -0.484990 -1.545271 -1.923274
C 2.085827 -0.452181 0.511347
C -1.347411 0.600677 -1.138041
C 2.375353 2.055420 0.266075
C -2.971168 2.411519 -0.403258
C -4.124140 2.317099 0.633695
C -3.612424 1.255630 1.630395
C 2.892332 1.933658 -1.182038
C 1.345509 3.193138 0.391546
C 3.511011 2.196272 1.299321
H 2.330327 -3.100794 0.874679
H -0.599253 -0.285221 1.262583
H 0.445315 -3.711315 2.200986
H -0.115860 -4.465280 0.686138
H -1.815753 -2.773970 0.434578
H -1.436218 -2.305508 2.103464
H 1.741381 -4.208902 -1.221097
H 2.234384 -2.527950 -1.535773
H -0.652000 -3.650717 -1.510783
H 0.301393 -3.258457 -2.942505
H -0.753846 -1.142385 -2.909790
H -3.329562 2.479742 -1.445183
H -2.302652 3.269671 -0.214041
H -4.324368 3.284802 1.121934
H -5.050418 1.966974 0.149068
H -2.904831 1.685736 2.365778
H -4.406936 0.689244 2.140791
H 2.046674 1.761313 -1.871635
H 3.393848 2.874675 -1.474327
H 3.613025 1.105846 -1.274392
H 0.923851 3.222262 1.411811
H 0.525367 3.043776 -0.332020
H 1.831278 4.163291 0.182173
H 4.210446 1.348954 1.225407
H 4.063147 3.136658 1.115325
H 3.098036 2.231748 2.323546


