%chk=000219063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219063

0 1
O -1.433599 -2.775493 -0.550693
O 2.934224 -0.964240 2.153234
O 3.327563 -5.922903 1.901256
N -1.941998 -0.172301 -1.173748
N 2.667382 1.410902 0.487090
N 2.694227 -5.022128 1.007425
N -5.133416 1.814910 -1.189965
N 1.516838 4.636172 -0.065377
C -0.045673 -0.833135 0.145892
C 1.117793 -0.395872 0.708945
C 0.635898 -3.193614 0.413933
C 1.862549 -2.768342 1.078068
C -0.288605 -2.267562 0.000389
C -1.058435 0.182165 -0.295821
C 1.444695 1.057461 0.693623
C 2.075574 -1.328696 1.375648
C -0.929884 1.515288 0.345093
C 0.245559 1.930035 0.830254
C 2.799259 -3.685064 1.459276
C 0.443008 -4.630627 0.250013
C -2.981132 0.733730 -1.686288
C 3.123086 2.805943 0.442372
C -4.225997 0.698791 -0.768610
C 2.482541 3.663152 -0.673948
C 1.403614 -5.510463 0.604503
C -6.019797 2.225688 -0.060069
C -5.955308 1.420558 -2.372901
C 0.463097 5.022958 -1.050792
C 2.226152 5.851018 0.436609
H -1.833986 2.121812 0.397773
H 0.395243 2.906455 1.303459
H 3.698804 -3.421952 2.033757
H -0.512410 -4.954360 -0.173172
H -3.242099 0.363335 -2.705342
H -2.635125 1.784417 -1.816828
H 4.225662 2.745245 0.272750
H 2.988959 3.288941 1.439876
H -4.700254 -0.304532 -0.807298
H -3.915671 0.853377 0.287761
H 3.282902 4.156893 -1.264469
H 1.945889 3.003038 -1.390615
H 1.312610 -6.595203 0.548071
H -1.935868 -2.083706 -1.100471
H -6.648084 3.070106 -0.387757
H -5.397231 2.594259 0.770984
H -6.680912 1.434965 0.323429
H -5.287729 1.153729 -3.207386
H -6.548004 2.290228 -2.700280
H -6.643438 0.579995 -2.200340
H 0.837527 5.500976 -1.967551
H -0.244489 5.716219 -0.567886
H -0.109344 4.124461 -1.334261
H 2.706688 6.461207 -0.342199
H 2.998161 5.550842 1.162775
H 1.504709 6.486063 0.975898
H 4.113574 -6.278042 1.368910


%chk=000219063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219063

0 1
O -1.272545 -2.371351 -1.240629
O 3.189362 -0.846065 1.813386
O 3.425046 -5.823649 1.429498
N -2.137244 -0.045196 -1.172476
N 2.467502 1.756350 1.423564
N 2.607594 -4.802631 0.802102
N -5.475719 1.739785 -0.735663
N 1.991106 4.115044 -0.499218
C -0.032405 -0.581370 -0.079318
C 1.120334 -0.141644 0.672778
C 0.744267 -2.938335 -0.082890
C 1.867506 -2.528257 0.734286
C -0.234898 -1.974283 -0.502518
C -1.081513 0.382640 -0.425242
C 1.281935 1.291974 0.995900
C 2.131872 -1.108410 1.123540
C -0.991075 1.735722 0.062462
C 0.120292 2.157142 0.761577
C 2.762201 -3.499154 1.188228
C 0.624436 -4.321562 -0.436824
C -3.299618 0.767150 -1.540496
C 2.645634 3.164097 1.756467
C -4.355587 0.832393 -0.401846
C 3.076230 3.968535 0.476524
C 1.546546 -5.255119 0.007683
C -6.229931 2.161210 0.464605
C -6.372907 1.199609 -1.779420
C 2.170260 3.477912 -1.809733
C 1.284658 5.399779 -0.508126
H -1.813959 2.431873 -0.126861
H 0.157402 3.188747 1.117982
H 3.596459 -3.224838 1.840711
H -0.218901 -4.626007 -1.062220
H -3.742893 0.309201 -2.442123
H -3.005947 1.799412 -1.806669
H 3.487099 3.231742 2.473362
H 1.770727 3.680659 2.216470
H -4.699415 -0.207469 -0.168569
H -3.860412 1.219052 0.508106
H 3.446883 4.961906 0.807798
H 3.928372 3.429091 0.023620
H 1.525165 -6.324566 -0.198817
H -2.048524 -1.103358 -1.407275
H -6.990746 2.909680 0.178696
H -5.544052 2.632474 1.190748
H -6.754162 1.317385 0.980595
H -5.815450 1.012447 -2.712990
H -7.160254 1.940362 -2.005296
H -6.871172 0.244084 -1.474652
H 2.859856 4.042548 -2.483710
H 1.193233 3.386555 -2.320218
H 2.573945 2.460605 -1.673447
H 1.863547 6.219960 -0.999343
H 1.063477 5.718718 0.527078
H 0.322228 5.299294 -1.044166
H 4.289456 -5.814774 0.927988


