%chk=000267622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267622

0 1
O 11.560254 0.292028 -0.005064
O -11.558088 0.276911 0.004271
O 12.177147 -2.000233 0.003106
O -12.172011 -2.016161 0.001574
O 1.089515 2.412558 -0.003099
O -1.090229 2.411050 -0.002960
O 0.001058 0.362677 -0.000667
N 6.309670 0.427170 -0.000672
N -6.307742 0.418832 -0.000790
C 10.422435 -0.506057 -0.001321
C -10.419239 -0.519708 0.002342
C 10.796824 -1.884185 0.003585
C -10.791842 -1.898321 0.000726
C 8.135594 -1.139204 0.002527
C -8.131601 -1.149903 -0.000163
C 9.108474 -0.102443 -0.001967
C -9.105801 -0.114394 0.001942
C 9.860171 -2.894620 0.007972
C -9.853880 -2.907553 -0.001332
C 8.507601 -2.488860 0.007324
C -8.501845 -2.500049 -0.001736
C 12.699845 -0.627811 -0.002318
C -12.696488 -0.644408 0.003785
C 6.690854 -0.808437 0.002201
C -6.687307 -0.817270 -0.000722
C 4.934000 0.808799 -0.001015
C -4.932568 0.802217 -0.001332
C 4.284946 1.059556 1.225281
C -4.283898 1.051137 -1.228201
C 4.284124 1.054207 -1.227962
C -4.282938 1.051115 1.225037
C 2.362509 1.787029 -0.002287
C -2.362357 1.783797 -0.002328
C 2.980565 1.551954 1.229167
C -2.980154 1.545193 -1.233235
C 2.979745 1.546591 -1.233122
C -2.979198 1.545183 1.229061
C 0.000228 1.563286 -0.002050
H 8.813809 0.948888 -0.005650
H -8.812496 0.937322 0.003111
H 10.140197 -3.944224 0.011720
H -10.132565 -3.957522 -0.002575
H 7.742185 -3.266179 0.010728
H -7.735410 -3.276368 -0.003352
H 13.253885 -0.483867 -0.939227
H 13.255007 -0.476893 0.932829
H -13.250648 -0.498963 0.940391
H -13.251907 -0.496424 -0.931678
H 6.017082 -1.684462 0.004673
H -6.012397 -1.692421 -0.001067
H 4.805762 0.878226 2.165256
H -4.804538 0.867095 -2.167746
H 4.804312 0.868764 -2.167483
H -4.802841 0.867043 2.164984
H 2.454152 1.757038 2.160380
H -2.454025 1.748872 -2.164917
H 2.452706 1.747582 -2.164872
H -2.452342 1.748817 2.160340


%chk=000267622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267622

0 1
O 11.619966 -0.156925 -0.002079
O -11.617352 -0.172473 0.000918
O 11.964939 -2.534449 0.003645
O -11.958826 -2.550508 0.003402
O 1.108071 2.781698 -0.003220
O -1.109227 2.780444 -0.003470
O 0.000598 0.693431 -0.002152
N 6.342282 0.598274 -0.001738
N -6.340723 0.590471 -0.001246
C 10.376671 -0.836427 0.000078
C -10.373058 -0.850149 0.001211
C 10.586418 -2.238235 0.003454
C -10.580743 -2.252268 0.002672
C 7.999629 -1.187506 0.001906
C -7.995502 -1.197719 0.000861
C 9.105292 -0.277386 -0.000802
C -9.102505 -0.289229 0.000282
C 9.523644 -3.145392 0.006103
C -9.516626 -3.157856 0.003254
C 8.217061 -2.592022 0.005277
C -8.210861 -2.602555 0.002313
C 12.661641 -1.214995 0.000327
C -12.657465 -1.232078 0.002244
C 6.617838 -0.678694 0.001335
C -6.614456 -0.686896 0.000001
C 5.004659 1.081520 -0.002035
C -5.003749 1.075530 -0.001860
C 4.346863 1.367319 1.225572
C -4.347042 1.361801 -1.229931
C 4.345894 1.363225 -1.230067
C -4.344629 1.358445 1.225708
C 2.406809 2.158447 -0.002800
C -2.407242 2.155682 -0.002921
C 3.043633 1.905243 1.225788
C -3.044456 1.901288 -1.231065
C 3.042657 1.901119 -1.231047
C -3.042083 1.898012 1.225771
C -0.000099 1.935007 -0.002870
H 8.922622 0.799729 -0.003370
H -8.921428 0.788157 -0.000825
H 9.695492 -4.224117 0.008686
H -9.686877 -4.236836 0.004381
H 7.352707 -3.266054 0.007308
H -7.345511 -3.275310 0.002727
H 13.263765 -1.133705 -0.920465
H 13.264050 -1.129233 0.920533
H -13.259627 -1.148509 0.922809
H -13.260085 -1.150368 -0.918191
H 5.816750 -1.447482 0.003735
H -5.812255 -1.454528 0.000525
H 4.865022 1.172067 2.169623
H -4.865504 1.165588 -2.173614
H 4.863301 1.164792 -2.173865
H -4.861241 1.159669 2.169872
H 2.527004 2.126845 2.164754
H -2.528628 2.123192 -2.170399
H 2.525293 2.119519 -2.170359
H -2.524466 2.117387 2.164718


