%chk=000228928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228928

0 1
O 1.871347 1.071757 -0.361388
O 1.845999 -1.080865 0.560615
C 4.006129 -0.133824 -0.143119
C 3.285563 1.238188 -0.134344
C 3.258508 -1.059452 0.849843
C 1.218695 0.211933 0.587471
C 3.954919 -0.736083 -1.550508
C 5.456694 0.047339 0.319704
C -0.186309 -0.007830 0.035690
C -1.270646 0.428409 1.025726
C -2.639288 0.195562 0.442747
C -3.266054 1.199929 -0.310734
C -3.293255 -1.029704 0.643580
C -4.535721 0.980763 -0.851443
C -4.562867 -1.243412 0.100530
C -5.187428 -0.239558 -0.646513
H 3.433616 1.783397 0.812116
H 3.583950 1.877752 -0.983390
H 3.536864 -2.121043 0.729514
H 3.403701 -0.753378 1.898746
H 1.300599 0.645160 1.601179
H 2.905090 -0.857875 -1.863576
H 4.446636 -0.096844 -2.289317
H 4.427582 -1.721477 -1.593399
H 5.523888 0.476957 1.324374
H 5.991559 -0.909606 0.335242
H 6.010640 0.707887 -0.357708
H -0.307262 -1.081606 -0.231245
H -0.288385 0.542707 -0.926285
H -1.140232 1.499264 1.286244
H -1.159641 -0.125590 1.980894
H -2.762003 2.149742 -0.477713
H -2.810415 -1.816395 1.219837
H -5.018091 1.763119 -1.434919
H -5.066391 -2.195476 0.259410
H -6.175791 -0.407748 -1.067659


%chk=000228928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228928

0 1
O 1.888008 1.001019 -0.598161
O 1.878407 -1.220450 0.358610
C 4.080891 -0.128368 -0.140341
C 3.292039 1.209707 -0.193396
C 3.281811 -1.078508 0.794453
C 1.220044 0.088626 0.334362
C 4.199400 -0.740466 -1.556029
C 5.478435 0.128811 0.468014
C -0.229633 -0.098256 -0.120333
C -1.260940 0.372512 0.940853
C -2.695309 0.197689 0.462827
C -3.347924 1.226672 -0.264280
C -3.397237 -1.013103 0.696233
C -4.664703 1.052714 -0.746559
C -4.714143 -1.192932 0.216161
C -5.353038 -0.159659 -0.508145
H 3.317023 1.700434 0.807512
H 3.716154 1.897816 -0.943819
H 3.698548 -2.099622 0.782778
H 3.304576 -0.686488 1.838096
H 1.308637 0.530123 1.360719
H 3.200461 -0.925872 -1.984942
H 4.748306 -0.058121 -2.232531
H 4.747814 -1.701055 -1.522176
H 5.409636 0.570261 1.481201
H 6.053065 -0.813319 0.546369
H 6.060892 0.822689 -0.166857
H -0.386091 -1.167330 -0.348844
H -0.371524 0.467270 -1.058221
H -1.070222 1.438027 1.175228
H -1.101188 -0.202388 1.873802
H -2.820115 2.171035 -0.449908
H -2.908265 -1.817593 1.260522
H -5.153960 1.860354 -1.303317
H -5.242199 -2.134024 0.408917
H -6.375457 -0.296104 -0.878601


