%chk=000215153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215153

0 1
O -1.595018 -0.854371 -1.281866
O -1.058118 2.946294 0.146603
O -3.231089 -1.588823 1.109099
O 5.431007 0.347668 0.053268
O 5.078018 -1.774620 0.271931
N -3.126545 0.616117 0.535388
N 4.699364 -0.629034 0.086991
C -1.652011 0.620320 0.677404
C -0.958619 0.265429 -0.675096
C 0.522652 0.009534 -0.468728
C -1.182069 1.990479 1.206700
C 1.409749 1.098278 -0.506354
C 1.008435 -1.287347 -0.252013
C -3.822164 -0.600292 0.704113
C -5.309115 -0.551526 0.426634
C 2.775971 0.895967 -0.326677
C 2.374836 -1.503276 -0.071455
C 3.250411 -0.407655 -0.106882
C -5.585786 -0.592211 -1.070597
H -1.382755 -0.170115 1.439752
H -1.118851 1.071537 -1.435790
H -0.147784 1.924384 1.603708
H -1.850072 2.376889 1.996721
H -3.518759 1.337979 -0.061684
H 1.023146 2.109866 -0.676555
H 0.320467 -2.134918 -0.239881
H -1.730151 -1.592656 -0.632898
H -5.781060 -1.429939 0.924550
H -5.776570 0.338672 0.893210
H 3.480445 1.734539 -0.356014
H 2.769011 -2.511914 0.095703
H -1.925372 3.341429 -0.068934
H -5.115075 -1.466195 -1.544627
H -6.663611 -0.662414 -1.268043
H -5.215017 0.298128 -1.590681


%chk=000215153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215153

0 1
O -1.200739 -1.857645 -0.567821
O -1.264055 2.513714 0.657263
O -3.818846 -1.616590 0.022151
O 5.403807 1.242618 -0.439643
O 5.562953 -0.894902 0.339605
N -3.057530 0.527253 0.478064
N 4.879199 0.112956 -0.091802
C -1.670213 0.137769 0.816312
C -0.897725 -0.439142 -0.445267
C 0.616349 -0.297378 -0.360076
C -1.037492 1.339139 1.528517
C 1.246139 0.914368 -0.749795
C 1.409658 -1.380052 0.096425
C -4.049277 -0.361686 0.142393
C -5.447678 0.216798 -0.059489
C 2.643690 1.057558 -0.667359
C 2.809567 -1.253659 0.189855
C 3.407474 -0.031310 -0.189001
C -6.140602 -0.367628 -1.310780
H -1.706066 -0.705867 1.535477
H -1.258904 0.129107 -1.329881
H 0.040834 1.162313 1.691589
H -1.537715 1.492116 2.506804
H -3.217007 1.537447 0.405455
H 0.632829 1.745192 -1.115104
H 0.907315 -2.319099 0.342358
H -2.190110 -1.986952 -0.389175
H -6.040403 -0.043568 0.839678
H -5.409104 1.321693 -0.107473
H 3.150913 1.978223 -0.967321
H 3.441398 -2.074993 0.538180
H -0.868931 3.320755 1.068946
H -6.131414 -1.469211 -1.265224
H -7.187775 -0.023098 -1.370281
H -5.622638 -0.060035 -2.236579


