%chk=000191594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191594

0 1
O -2.419127 1.372891 0.927661
O -0.196646 2.459340 0.924430
O -2.087403 -2.162900 -0.341627
O -4.024205 -1.447406 -1.221301
O 4.593202 -1.649522 0.605891
N -2.857725 1.162300 -1.750221
C -1.484488 0.555961 0.238032
C -0.164809 1.349043 0.016385
C -2.073834 0.081373 -1.125272
C 1.088069 0.529669 0.194245
C 1.111276 -0.861262 -0.004736
C 2.272067 1.203739 0.534207
C -2.884760 -1.200137 -0.920526
C 2.296322 -1.577378 0.136292
C 3.472480 0.510237 0.686836
C 3.465258 -0.877592 0.482872
H -1.352595 -0.312820 0.929816
H -0.163543 1.872015 -0.975722
H -1.225341 -0.182369 -1.822909
H 0.198682 -1.404532 -0.269282
H 2.246599 2.287578 0.682394
H -3.568953 1.510322 -1.103722
H -3.342568 0.829476 -2.582492
H -2.280798 2.335677 0.699620
H -0.182531 2.143722 1.859173
H 2.337059 -2.654470 -0.013026
H 4.383980 1.035313 0.952649
H -2.565822 -3.021166 -0.183463
H 5.389152 -1.114404 0.848098


%chk=000191594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191594

0 1
O -2.892921 0.966057 0.676662
O -0.774694 1.420242 2.237530
O -2.666408 -2.097357 -0.874522
O -3.621537 -0.710361 -2.474353
O 4.650533 -1.420871 0.150254
N -1.748912 1.390926 -1.865871
C -1.630665 0.296552 0.341247
C -0.443911 1.175941 0.807514
C -1.643619 0.093641 -1.189606
C 0.907947 0.509719 0.634011
C 1.337085 -0.517882 1.516280
C 1.758177 0.893540 -0.431330
C -2.760671 -0.895682 -1.589936
C 2.583795 -1.147346 1.341200
C 3.008627 0.267109 -0.622500
C 3.418936 -0.754196 0.268533
H -1.570294 -0.688645 0.843656
H -0.479204 2.126277 0.240232
H -0.687781 -0.396431 -1.462156
H 0.690362 -0.810833 2.350492
H 1.431014 1.679455 -1.122452
H -2.543993 1.923375 -1.488022
H -1.822984 1.302865 -2.885558
H -2.783616 1.312738 1.602332
H -0.091729 2.017020 2.632007
H 2.927256 -1.937639 2.015253
H 3.658019 0.574078 -1.452830
H -3.391094 -2.714486 -1.166031
H 5.161280 -1.085110 -0.627735


