%chk=000241319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241319

0 1
O 6.810016 -2.501065 0.296971
O -6.808855 -2.503683 0.287743
O 4.917506 -2.191470 1.280256
O -4.916469 -2.196790 1.272113
O -0.000356 1.510380 -0.568920
N 5.859919 -1.800087 0.605545
N -5.859081 -1.803392 0.598855
N 2.371676 0.482241 0.335944
N -2.371785 0.481631 0.336614
N 1.180749 0.081697 0.869225
N -1.180520 0.079856 0.868232
C 4.752253 0.457017 0.233506
C -4.752382 0.455484 0.234646
C 5.872321 -0.398252 0.138443
C -5.872153 -0.399867 0.136858
C 4.869405 1.770942 -0.256767
C -4.870234 1.771143 -0.250791
C 7.074565 0.062167 -0.435217
C -7.074773 0.062163 -0.434715
C 6.062286 2.221246 -0.820548
C -6.063486 2.223032 -0.812514
C 7.169893 1.367142 -0.907683
C -7.170785 1.368813 -0.902387
C 3.480503 0.010708 0.838351
C -3.480232 0.007460 0.837376
C -0.000084 0.655478 0.271380
H 4.002391 2.438452 -0.205094
H -4.003470 2.438807 -0.196994
H 7.930042 -0.621318 -0.507898
H -7.930004 -0.621393 -0.509603
H 6.132273 3.243746 -1.198414
H -6.134006 3.246875 -1.186623
H 8.101881 1.721780 -1.348820
H -8.103063 1.724685 -1.341912
H 3.576569 -0.710919 1.672143
H -3.575680 -0.717552 1.668305
H 1.129952 -0.636308 1.600837
H -1.129180 -0.641051 1.596959


%chk=000241319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241319

0 1
O 7.313139 -2.179734 1.157826
O -7.312471 -2.180706 1.159485
O 5.056671 -2.304327 1.334299
O -5.055954 -2.304369 1.335994
O -0.000215 1.824425 -0.550502
N 6.136683 -1.673548 0.992108
N -6.136213 -1.674110 0.993618
N 2.395107 0.488328 0.038474
N -2.395283 0.488175 0.039138
N 1.164188 -0.061584 0.279894
N -1.164263 -0.061570 0.280423
C 4.790863 0.334468 0.105922
C -4.791020 0.334039 0.106971
C 6.037051 -0.316854 0.388439
C -6.037036 -0.317523 0.389634
C 4.871143 1.638669 -0.474289
C -4.871609 1.638060 -0.473602
C 7.280073 0.304530 0.104994
C -7.280217 0.303467 0.106005
C 6.099732 2.255903 -0.753224
C -6.100351 2.254910 -0.752718
C 7.316515 1.586936 -0.463364
C -7.316970 1.585715 -0.462693
C 3.455311 -0.233601 0.358087
C -3.455360 -0.233684 0.359334
C -0.000107 0.686248 -0.049062
H 3.926448 2.143547 -0.696030
H -3.927037 2.143116 -0.695461
H 8.196305 -0.241476 0.341087
H -8.196313 -0.242709 0.342223
H 6.114486 3.257073 -1.196348
H -6.115350 3.255958 -1.196112
H 8.278773 2.061664 -0.678258
H -8.279344 2.060147 -0.677722
H 3.394641 -1.235842 0.804019
H -3.394512 -1.235799 0.805536
H 1.084112 -1.004173 0.695182
H -1.084009 -1.003973 0.696096


