%chk=000288121.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288121

0 1
O 4.492394 1.055617 -1.296500
O 4.270120 1.238138 1.626564
O -4.327325 2.404861 -0.774860
O -4.710866 1.015671 1.745942
N -0.406418 -2.568058 -0.663125
C 0.337619 -1.533211 -1.446876
C -0.925182 -1.956255 0.599851
C 0.206191 -1.426119 1.520975
C -0.707419 -0.527581 -1.988694
C 1.399893 -0.808353 -0.634837
C -1.864155 -0.816674 0.245468
C 1.321575 -0.755275 0.769992
C -1.730357 -0.118209 -0.967593
C 0.419703 -3.783637 -0.409612
C 2.451995 -0.171908 -1.304500
C -2.860870 -0.448080 1.159829
C 2.318821 -0.091854 1.501071
C -2.585549 0.954455 -1.255944
C 3.435025 0.504187 -0.577503
C 3.376633 0.532410 0.833559
C -3.713527 0.618528 0.869863
C -3.579584 1.335058 -0.344274
C 4.520702 2.509801 -1.252862
C 5.660846 0.842695 1.470427
C -5.390893 2.877786 0.091222
H 0.824700 -2.044454 -2.318599
H -1.497795 -2.751756 1.144533
H 0.622251 -2.264922 2.115609
H -0.223759 -0.719201 2.261279
H -1.241287 -0.998525 -2.844255
H -0.187403 0.362681 -2.396096
H 1.373460 -3.596035 0.106583
H 0.639131 -4.264488 -1.377504
H -0.164626 -4.504932 0.182778
H 2.522645 -0.190429 -2.391743
H -2.974096 -0.991519 2.094348
H 2.283905 -0.045134 2.588485
H -2.496492 1.509815 -2.189073
H -4.725781 0.436259 2.546025
H 4.555396 2.861156 -0.215574
H 3.646375 2.905687 -1.776262
H 5.445858 2.740744 -1.790578
H 5.957932 0.854588 0.415042
H 5.798203 -0.149311 1.908855
H 6.185738 1.611060 2.047489
H -5.800739 3.710358 -0.490511
H -4.975231 3.213611 1.046936
H -6.130056 2.084756 0.244850


%chk=000288121-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288121

0 1
O 4.291543 1.322508 -1.286026
O 4.110805 1.418993 1.641487
O -4.430811 2.261052 -0.833953
O -4.757509 0.914440 1.706105
N -0.368670 -2.745935 -0.662499
C 0.334700 -1.703825 -1.458851
C -0.940320 -2.132969 0.567935
C 0.191157 -1.639751 1.530667
C -0.749195 -0.789554 -2.088895
C 1.354825 -0.900762 -0.632024
C -1.880051 -0.987381 0.190853
C 1.258759 -0.844340 0.786449
C -1.758778 -0.318491 -1.053408
C 0.433938 -3.960491 -0.417379
C 2.369797 -0.164942 -1.287320
C -2.865409 -0.560828 1.110858
C 2.201146 -0.072505 1.508281
C -2.610516 0.777121 -1.326038
C 3.290419 0.620562 -0.568317
C 3.220635 0.646176 0.855167
C -3.730079 0.515017 0.821390
C -3.591881 1.214327 -0.412370
C 4.199891 2.796826 -1.170665
C 5.530095 1.004368 1.551861
C -4.673979 3.370822 0.110782
H 0.867966 -2.216072 -2.282676
H -1.525296 -2.914414 1.091459
H 0.660957 -2.521402 2.014503
H -0.242675 -1.028727 2.344018
H -1.273188 -1.377164 -2.868270
H -0.275370 0.075946 -2.589526
H 1.391364 -3.786110 0.128713
H 0.681240 -4.429875 -1.386768
H -0.168136 -4.682605 0.163876
H 2.457383 -0.181326 -2.380370
H -2.975107 -1.092902 2.067541
H 2.159845 -0.020449 2.602470
H -2.531912 1.323278 -2.272628
H -4.786536 0.309788 2.488409
H 4.257564 3.114970 -0.113893
H 3.252890 3.155016 -1.617551
H 5.055630 3.190184 -1.740565
H 5.887452 1.039438 0.506973
H 5.653094 -0.018835 1.955603
H 6.085033 1.721941 2.175558
H -5.304883 4.080635 -0.445877
H -3.718120 3.856287 0.388905
H -5.192010 3.015962 1.016209


