%chk=000186852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186852

0 1
O -0.619122 -0.336688 1.227574
O 6.743914 0.356769 -0.255706
O 6.190248 1.321892 1.679997
N -1.741793 -1.501222 -0.437622
N 0.582934 -1.089019 -0.616057
C -3.139379 -1.408738 0.132750
C -3.691390 -0.019630 -0.206971
C -3.126936 -1.639814 1.647603
C -3.933654 -2.549132 -0.533359
C -3.198756 1.100801 0.482610
C -4.666357 0.169622 -1.195217
C -0.617248 -0.917050 0.155475
C -3.679043 2.380104 0.197045
C -5.149194 1.451589 -1.480197
C -4.658811 2.559499 -0.784964
C 1.871981 -0.625533 -0.242048
C 2.115945 0.085576 0.950063
C 2.935290 -0.906406 -1.135500
C 4.466676 0.235507 0.358395
C 3.405390 0.510628 1.242718
C 4.220286 -0.474713 -0.829413
C 5.812039 0.704200 0.708730
H -2.743504 -2.632488 1.908057
H -2.485320 -0.912972 2.175402
H -4.134378 -1.543231 2.066922
H -3.502770 -3.529537 -0.293212
H -3.978963 -2.464691 -1.624039
H -4.967897 -2.560148 -0.163975
H -1.688645 -1.864317 -1.386506
H -2.422771 0.973077 1.246398
H -5.065604 -0.673713 -1.755670
H -3.287240 3.238929 0.740383
H -5.909860 1.583761 -2.247460
H 0.534405 -1.603789 -1.497517
H -5.035077 3.556325 -1.006573
H 1.294174 0.302255 1.644150
H 2.758853 -1.454265 -2.057259
H 3.607001 1.064308 2.166157
H 5.050970 -0.684454 -1.510990
H 7.655807 0.673410 -0.020374


%chk=000186852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186852

0 1
O -0.601070 -0.242437 1.392590
O 6.932947 0.170511 -0.310149
O 6.352507 1.378062 1.587689
N -1.679708 -1.323178 -0.410892
N 0.640013 -1.115682 -0.416765
C -3.112802 -1.341525 0.047855
C -3.787728 0.027421 -0.243008
C -3.202744 -1.674863 1.561346
C -3.766074 -2.503943 -0.743067
C -3.265354 1.203375 0.363641
C -4.921918 0.152620 -1.084316
C -0.567955 -0.842148 0.276780
C -3.859360 2.461161 0.130023
C -5.519573 1.414009 -1.317279
C -4.991135 2.574438 -0.711897
C 1.942593 -0.659419 -0.111898
C 2.245953 0.169740 1.006465
C 2.993362 -1.063945 -0.987678
C 4.619830 0.179843 0.350052
C 3.572159 0.579412 1.221086
C 4.314240 -0.651488 -0.760024
C 5.995278 0.643412 0.632210
H -2.713547 -2.643408 1.770962
H -2.719814 -0.904748 2.178568
H -4.267561 -1.746275 1.844583
H -3.239820 -3.445913 -0.510902
H -3.726223 -2.339627 -1.837306
H -4.823916 -2.625009 -0.455774
H -1.562965 -1.538555 -1.404453
H -2.387747 1.126636 1.015020
H -5.356967 -0.728819 -1.565755
H -3.439190 3.354062 0.606712
H -6.397113 1.486029 -1.970184
H 0.579589 -1.742876 -1.222031
H -5.453212 3.551822 -0.890940
H 1.444652 0.464833 1.684688
H 2.766302 -1.702842 -1.851178
H 3.819867 1.217465 2.075966
H 5.117821 -0.962856 -1.432751
H 7.828587 0.521404 -0.058191


