%chk=000202441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202441

0 1
O 0.664465 -1.043929 0.657885
O -1.888369 1.848255 -2.258836
O 4.182938 0.115468 -2.409667
O 1.245920 -5.525825 0.991731
O -0.120223 -4.424324 -0.392425
N -3.609705 -0.220852 -0.000343
N -3.467988 1.016809 -0.725052
N -0.214955 -0.547906 -1.414096
N 3.228722 -0.703586 -0.512898
C 2.123145 -1.337861 -1.256395
C -1.508925 -0.202720 -0.958384
C 2.255434 -2.874709 -1.296320
C -2.319276 -0.868879 -0.065719
C 0.799768 -0.949448 -0.554081
C -2.207215 1.002753 -1.460190
C 2.141889 -3.558091 0.069154
C -4.664513 1.632579 -1.248678
C -2.038988 -2.099368 0.685065
C -4.176918 -0.016961 1.364460
C 4.200613 0.038002 -1.192226
C 5.280629 0.669355 -0.335679
C -4.546796 2.955675 -1.718094
C -5.905114 0.973283 -1.266100
C 0.964266 -4.479526 0.141283
C 4.775989 1.291295 0.933886
C -5.684085 3.614788 -2.183647
C -7.032194 1.656363 -1.729792
C -6.928596 2.973963 -2.184166
C 3.908593 2.393458 0.874200
C 5.171704 0.780743 2.178285
C 3.440826 2.976589 2.053748
C 4.701926 1.371900 3.355203
C 3.836360 2.467849 3.295899
H 2.156768 -0.959665 -2.322797
H 1.485044 -3.272888 -1.994200
H 3.233491 -3.128916 -1.758180
H -0.036882 -0.347211 -2.400113
H 3.173619 -0.729896 0.505868
H 3.077403 -4.103725 0.320635
H 2.024537 -2.802441 0.891679
H -2.890768 -2.497068 1.247525
H -1.685757 -2.907893 0.007435
H -1.194454 -1.932062 1.390414
H -5.116404 0.561387 1.297772
H -3.501016 0.519708 2.050896
H -4.416110 -1.005432 1.791108
H 6.066258 -0.092471 -0.136725
H 5.798146 1.443439 -0.953970
H -3.571625 3.448755 -1.734424
H -5.990441 -0.062961 -0.942823
H -5.598868 4.637596 -2.550784
H -7.997396 1.151121 -1.742951
H -7.810614 3.498347 -2.544544
H 3.597860 2.792686 -0.090909
H 5.847244 -0.069986 2.234668
H 2.764108 3.829387 2.005019
H 5.012118 0.975170 4.320951
H 0.486934 -6.160058 1.091578
H 3.469578 2.924436 4.213261


%chk=000202441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202441

0 1
O 0.729100 -0.020213 0.694375
O -2.401833 1.133595 -3.032716
O 4.533902 -0.211327 -2.433245
O 1.658491 -3.968826 1.744357
O 0.038999 -3.246287 0.251780
N -3.788749 0.300542 0.146660
N -3.884418 0.930336 -1.138921
N -0.461996 -0.206478 -1.317912
N 3.094043 -0.061757 -0.621107
C 1.955530 -0.637889 -1.344873
C -1.763492 0.111516 -0.883180
C 2.114291 -2.180365 -1.567613
C -2.459696 -0.180775 0.280424
C 0.685523 -0.262697 -0.554026
C -2.643677 0.795615 -1.831211
C 2.448133 -2.990003 -0.301016
C -5.157229 1.199184 -1.726946
C -2.033588 -0.927085 1.508492
C -4.422070 1.050356 1.263285
C 4.316606 0.123510 -1.225495
C 5.409891 0.805349 -0.371154
C -5.250928 2.197210 -2.730501
C -6.307817 0.466387 -1.335897
C 1.249958 -3.377727 0.541367
C 5.238290 0.701384 1.135282
C -6.500089 2.458246 -3.331103
C -7.553550 0.753652 -1.933277
C -7.657724 1.749697 -2.931588
C 4.656046 1.757737 1.882423
C 5.637950 -0.475255 1.823577
C 4.474956 1.643235 3.280163
C 5.458873 -0.593493 3.219269
C 4.875000 0.466358 3.952905
H 1.920383 -0.182643 -2.355135
H 1.193991 -2.573298 -2.037660
H 2.942454 -2.295183 -2.288900
H -0.365126 -0.221469 -2.340985
H 2.921465 0.210958 0.354913
H 2.957734 -3.934071 -0.577094
H 3.164387 -2.445667 0.342285
H -2.893449 -1.181586 2.149938
H -1.533588 -1.863186 1.203191
H -1.286890 -0.352643 2.083511
H -5.483142 1.229999 1.033856
H -3.917129 2.020650 1.436230
H -4.357714 0.437892 2.175021
H 6.363265 0.355515 -0.699459
H 5.438199 1.865132 -0.689766
H -4.352055 2.734461 -3.041613
H -6.213355 -0.341172 -0.602458
H -6.568231 3.224185 -4.111288
H -8.439561 0.185111 -1.629451
H -8.625217 1.964970 -3.397474
H 4.347682 2.676364 1.367879
H 6.098796 -1.297231 1.261195
H 4.023958 2.469782 3.840523
H 5.774892 -1.507599 3.734430
H 0.855310 -4.224492 2.274152
H 4.736311 0.375990 5.035982


