%chk=000224985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224985

0 1
O 0.788071 -2.478195 -0.271423
O 4.456772 0.222556 0.225727
O -3.678925 -0.615883 -1.439816
O -4.277483 1.012963 -0.150831
N -3.445873 0.244997 -0.600752
C 0.366112 -0.028927 -0.573243
C -2.045037 0.348811 -0.105367
C 1.168282 -1.164753 -0.315824
C -1.058825 -0.093403 -0.905313
C -1.909715 0.923642 1.272538
C 0.986445 1.235658 -0.547906
C 2.543175 -1.041437 -0.048433
C 3.113029 0.236301 -0.042773
C 2.342880 1.390381 -0.290247
C -2.212949 -0.120594 2.344814
C -0.594640 -2.858154 -0.466487
C 5.161403 1.489523 0.255227
H -1.285253 -0.514355 -1.898348
H -2.593784 1.796088 1.388867
H -0.881631 1.321494 1.414827
H 0.378212 2.122119 -0.746979
H 3.147387 -1.925648 0.148830
H 2.788021 2.378133 -0.285638
H -1.536545 -0.980909 2.276707
H -2.096333 0.306138 3.349055
H -3.242108 -0.493633 2.272096
H -1.240437 -2.366361 0.266613
H -0.549450 -3.941076 -0.281112
H -0.902534 -2.657701 -1.496575
H 4.764210 2.126619 1.050364
H 5.112599 1.974157 -0.724009
H 6.186321 1.166948 0.484010


%chk=000224985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224985

0 1
O 0.634647 -2.262103 -1.492836
O 4.591614 0.140525 -0.312939
O -3.641871 -0.690919 -1.520265
O -4.494669 0.786520 -0.009424
N -3.499685 0.147292 -0.542781
C 0.340981 -0.028946 -0.461764
C -2.143379 0.419774 0.016224
C 1.188379 -1.103748 -0.906080
C -1.101905 -0.153015 -0.670662
C -2.143155 1.223780 1.297120
C 0.991929 1.136527 0.033629
C 2.585863 -1.017848 -0.839391
C 3.196499 0.155946 -0.333076
C 2.393243 1.243581 0.102118
C -2.756445 0.449086 2.497112
C -0.032421 -3.205107 -0.570330
C 5.285849 1.327772 0.200998
H -1.392377 -0.806132 -1.506415
H -2.707110 2.162719 1.149945
H -1.104401 1.489162 1.547545
H 0.391660 2.009123 0.307294
H 3.203031 -1.849642 -1.187797
H 2.844233 2.170713 0.465857
H -2.208907 -0.492621 2.682535
H -2.695180 1.066014 3.411434
H -3.817440 0.214524 2.313669
H -0.855600 -2.717067 -0.015280
H 0.702029 -3.625601 0.143041
H -0.438069 -4.001879 -1.210924
H 5.013990 1.524706 1.255565
H 5.064633 2.218647 -0.417085
H 6.355430 1.083719 0.131562


