%chk=000246255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246255

0 1
O 0.770355 0.001217 0.239999
N -1.974066 -0.377925 -2.068742
N 0.751629 0.386899 -2.096584
C -1.941178 -0.733175 0.388687
C -2.296841 -2.234654 0.388691
C -3.197105 0.124697 0.642523
C -1.074715 -3.151248 0.251444
C -2.843349 1.593554 0.905929
C -1.280448 -0.351611 -0.919640
C -0.093813 -3.017869 1.424516
C -4.099191 2.427998 1.194801
C 0.112515 0.036781 -0.961451
C 1.068299 -4.000922 1.304451
C -3.754826 3.891897 1.460176
C -1.336017 -0.029808 -3.229654
C 0.010938 0.351535 -3.246965
C 2.119758 0.419144 0.333364
C 2.546608 1.680156 -0.087976
C 2.944452 -0.485073 1.012528
C 3.865571 2.046645 0.196205
C 4.255000 -0.088347 1.288641
C 4.714294 1.170687 0.882954
H -1.206263 -0.543325 1.218031
H -2.841607 -2.477085 1.321656
H -3.004662 -2.444056 -0.439670
H -3.884716 0.048846 -0.224551
H -3.753549 -0.287427 1.506164
H -0.548608 -2.940511 -0.700092
H -1.420691 -4.200715 0.171634
H -2.307811 2.014762 0.033037
H -2.138223 1.669196 1.756101
H -0.625382 -3.179268 2.381816
H 0.296835 -1.977824 1.462739
H -4.800892 2.358108 0.340292
H -4.639629 2.007701 2.065298
H 1.760285 -3.902345 2.147803
H 0.718491 -5.039587 1.289579
H 1.641092 -3.837455 0.384140
H -3.253678 4.350548 0.600149
H -4.656307 4.479558 1.666151
H -3.088011 3.999876 2.323163
H -1.943696 -0.067921 -4.138455
H 0.534523 0.634430 -4.165823
H 1.878772 2.343743 -0.633110
H 2.564187 -1.460544 1.310581
H 4.232261 3.022515 -0.121245
H 4.922880 -0.766630 1.818774
H 5.738428 1.468330 1.099742


%chk=000246255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246255

0 1
O 0.895906 -0.025090 0.186269
N -1.991212 -0.223323 -2.040352
N 0.752104 0.467771 -2.139597
C -1.913860 -0.698320 0.386170
C -2.248894 -2.222802 0.320219
C -3.203068 0.130897 0.644900
C -1.022467 -3.165882 0.269071
C -2.946137 1.635422 0.884022
C -1.238072 -0.262553 -0.905034
C -0.192639 -3.197884 1.574366
C -4.238851 2.419142 1.206449
C 0.152547 0.086303 -0.991897
C 1.013430 -4.158552 1.487008
C -3.988863 3.924418 1.441850
C -1.393067 0.154606 -3.211954
C -0.028499 0.503695 -3.261368
C 2.260043 0.394410 0.286067
C 2.707039 1.654846 -0.164051
C 3.111961 -0.486708 0.982660
C 4.046616 2.025817 0.086857
C 4.448351 -0.100053 1.228416
C 4.920253 1.155337 0.780410
H -1.207960 -0.518920 1.217198
H -2.862651 -2.477219 1.208649
H -2.886501 -2.387167 -0.570930
H -3.885297 0.002234 -0.217913
H -3.713143 -0.295540 1.532832
H -0.361832 -2.880744 -0.575691
H -1.375488 -4.194289 0.048020
H -2.469319 2.080120 -0.013584
H -2.224342 1.762400 1.718237
H -0.850971 -3.501931 2.414037
H 0.168684 -2.178055 1.808149
H -4.959516 2.287394 0.373756
H -4.717725 1.977520 2.104525
H 1.591880 -4.173454 2.429659
H 0.683815 -5.194084 1.278181
H 1.698322 -3.858146 0.670671
H -3.539340 4.395663 0.547323
H -4.928057 4.461299 1.670366
H -3.293930 4.083321 2.288211
H -2.023567 0.175265 -4.105853
H 0.459703 0.812226 -4.191239
H 2.033710 2.321548 -0.706795
H 2.723379 -1.451871 1.321786
H 4.406109 3.000522 -0.260785
H 5.116413 -0.779580 1.768530
H 5.956904 1.453489 0.969979


