%chk=000216356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216356

0 1
O 0.026632 3.028840 0.697160
N 0.826519 -0.124073 1.201328
N -0.891723 -3.810761 -0.459209
C -1.299804 -0.271483 0.387329
C -0.243255 0.622431 0.749770
C -0.853536 -1.580593 0.618822
C 0.480233 -1.475567 1.117440
C -2.431206 0.529268 -0.080419
C -1.629003 -2.837272 0.420658
C -2.041069 1.915531 -0.002571
C -0.626880 2.028169 0.521629
C 2.106741 0.450904 1.659028
C 1.396809 -2.565618 1.504351
C -3.686237 0.182238 -0.537225
C 3.042804 0.689384 0.496482
C -2.907565 2.916201 -0.379007
C -4.569299 1.218650 -0.921737
C -4.193693 2.553097 -0.845855
C -0.630216 -3.229100 -1.808879
C -1.683394 -5.072562 -0.585502
C 2.908426 1.854879 -0.271557
C 4.044711 -0.241612 0.191080
C 3.777599 2.086553 -1.340317
C 4.912278 -0.003025 -0.878981
C 4.780339 1.159677 -1.644783
H -1.774067 -3.333644 1.410475
H -2.645681 -2.592464 0.036368
H 2.566835 -0.221970 2.419078
H 1.895119 1.419296 2.183316
H 1.025671 -3.532148 1.104305
H 2.407326 -2.433242 1.093228
H 1.474248 -2.675036 2.594406
H -3.997598 -0.856083 -0.603916
H -2.615236 3.965051 -0.321052
H -5.562959 0.953173 -1.283548
H -4.887387 3.335878 -1.146026
H -0.015917 -2.318855 -1.692113
H -0.041690 -3.945980 -2.401283
H -1.530056 -2.958554 -2.379241
H -2.673855 -4.956150 -1.048700
H -1.107051 -5.794024 -1.186969
H -1.815915 -5.518494 0.412607
H 2.119730 2.578700 -0.035685
H 4.150818 -1.150004 0.780566
H 3.671539 2.991716 -1.937057
H 5.691090 -0.725540 -1.116600
H 5.456624 1.343019 -2.477696


%chk=000216356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216356

0 1
O -0.049018 3.119716 0.776859
N 0.785977 -0.080980 1.159095
N -0.911233 -3.803640 -0.567280
C -1.351492 -0.239212 0.374905
C -0.319308 0.653911 0.739958
C -0.869721 -1.564521 0.564986
C 0.470663 -1.439490 1.054947
C -2.523157 0.567210 -0.053365
C -1.608691 -2.866300 0.356721
C -2.148003 1.948469 0.070357
C -0.712294 2.052224 0.575959
C 2.071950 0.507719 1.614619
C 1.430364 -2.531007 1.428451
C -3.806088 0.233329 -0.513455
C 3.097890 0.684250 0.496706
C -3.030445 2.981232 -0.256151
C -4.709872 1.285379 -0.846330
C -4.333791 2.639675 -0.721053
C -0.756322 -3.249966 -1.929847
C -1.561185 -5.130547 -0.581352
C 2.930477 1.716228 -0.462944
C 4.230663 -0.162143 0.411741
C 3.873618 1.880769 -1.500756
C 5.177030 0.004732 -0.625166
C 4.996947 1.024255 -1.587403
H -1.723308 -3.396890 1.323645
H -2.644867 -2.637121 -0.001741
H 2.476954 -0.138379 2.412534
H 1.820876 1.487916 2.056028
H 1.005071 -3.493380 1.101176
H 2.406437 -2.410023 0.923644
H 1.617843 -2.571349 2.520225
H -4.120099 -0.810478 -0.618029
H -2.717465 4.025820 -0.153147
H -5.714747 1.035365 -1.205567
H -5.046571 3.429377 -0.982064
H -0.219484 -2.287944 -1.883431
H -0.164551 -3.949354 -2.546644
H -1.736400 -3.074449 -2.442388
H -2.610373 -5.105248 -0.972348
H -0.979247 -5.821439 -1.216741
H -1.588765 -5.545839 0.442472
H 2.071334 2.392860 -0.381264
H 4.382145 -0.946307 1.164680
H 3.737962 2.681728 -2.236059
H 6.051191 -0.653773 -0.679517
H 5.728906 1.156418 -2.392169


