%chk=000220363.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220363

0 1
O 3.906582 2.425139 0.045264
O 1.802689 2.027067 0.298691
N -1.428792 -0.249865 0.210074
N 2.960806 1.660905 0.174144
C -2.231587 -1.456157 0.597232
C -2.105656 1.024250 0.619164
C -3.417314 -1.605847 -0.370935
C -1.504681 2.201836 -0.163805
C -0.023793 -0.334308 0.717243
C -4.208150 -2.905959 -0.123122
C -2.273134 3.515109 0.086959
C 0.896258 -0.456801 -0.520581
C -4.993574 -2.842844 1.193485
C -5.159493 -3.171050 -1.298411
C -2.042444 4.034771 1.512353
C -1.843646 4.572650 -0.939828
C 2.304210 -0.767576 -0.118176
C 3.262858 0.216330 0.195145
C 2.704626 -2.118530 -0.054591
C 4.584272 -0.141288 0.540427
C 4.003079 -2.471254 0.299058
C 4.951149 -1.479126 0.596437
H -1.581604 -2.354873 0.518821
H -2.593663 -1.414393 1.646787
H -3.188528 0.933466 0.375412
H -2.041305 1.213188 1.712039
H -4.088024 -0.728741 -0.292556
H -3.036577 -1.584576 -1.412126
H -0.433592 2.335572 0.095615
H -1.511708 1.959686 -1.244936
H 0.137100 -1.196326 1.395979
H 0.268398 0.576282 1.290135
H -3.485729 -3.757881 -0.061507
H -3.366752 3.323068 -0.046347
H 0.829785 0.489678 -1.103668
H 0.492147 -1.232338 -1.205499
H -5.724734 -2.027152 1.187586
H -5.544156 -3.772344 1.372571
H -4.330779 -2.682170 2.049774
H -5.882397 -2.357741 -1.424606
H -4.612938 -3.273352 -2.241817
H -5.730099 -4.093452 -1.147676
H -0.979232 4.227087 1.699166
H -2.579146 4.972818 1.685943
H -2.381456 3.314766 2.263164
H -0.769191 4.781318 -0.874239
H -2.051965 4.246220 -1.963654
H -2.369867 5.519172 -0.780988
H 1.976530 -2.896520 -0.289280
H 5.312466 0.648634 0.759005
H 4.290098 -3.523441 0.343868
H 5.968752 -1.758705 0.866508


%chk=000220363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220363

0 1
O 4.109488 2.105945 -1.057353
O 1.907832 1.928749 -0.511609
N -1.446351 -0.156538 0.344911
N 3.104520 1.441353 -0.587498
C -2.218087 -1.404638 0.558515
C -2.136899 1.087035 0.772438
C -3.331779 -1.610419 -0.492564
C -1.756240 2.302935 -0.101691
C -0.030156 -0.237055 0.743739
C -4.153617 -2.915433 -0.308573
C -2.392813 3.642821 0.358265
C 0.873307 -0.720955 -0.438963
C -5.040256 -2.878947 0.961058
C -5.020824 -3.183159 -1.561758
C -1.798892 4.142357 1.698929
C -2.214488 4.720147 -0.738472
C 2.320710 -0.916951 -0.027979
C 3.354052 0.064724 -0.090760
C 2.709887 -2.189928 0.474009
C 4.688650 -0.204553 0.302387
C 4.025856 -2.471222 0.891959
C 5.025726 -1.472438 0.805188
H -1.513805 -2.257514 0.487197
H -2.650418 -1.440033 1.589339
H -3.227443 0.919210 0.687754
H -1.934640 1.307822 1.849295
H -4.028295 -0.746785 -0.478696
H -2.852637 -1.607982 -1.491320
H -0.654252 2.419980 -0.127568
H -2.068579 2.078635 -1.140729
H 0.117183 -0.922090 1.612346
H 0.323358 0.761448 1.051798
H -3.436117 -3.758880 -0.203174
H -3.483197 3.476916 0.502922
H 0.761541 0.016374 -1.248514
H 0.476167 -1.687751 -0.801738
H -5.762875 -2.041539 0.903512
H -5.619085 -3.815738 1.065197
H -4.444189 -2.748965 1.882456
H -5.738237 -2.355378 -1.724379
H -4.397647 -3.271964 -2.471070
H -5.603643 -4.117146 -1.454134
H -0.709578 4.311488 1.595981
H -2.262331 5.099453 2.003639
H -1.954038 3.418732 2.519955
H -1.139684 4.897413 -0.936123
H -2.684917 4.407545 -1.689413
H -2.665941 5.682940 -0.433170
H 1.948048 -2.976862 0.521590
H 5.434232 0.588885 0.204575
H 4.275270 -3.466310 1.275898
H 6.052224 -1.681333 1.122095


