%chk=000272017.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272017

0 1
O 2.153426 0.731805 -2.206986
O 1.304036 -0.163907 2.212807
N -3.629706 1.310487 0.253593
N 1.859690 0.390326 0.050219
N 4.379032 -2.269551 0.278775
C -0.719919 1.683813 -0.163340
C -1.469004 0.389160 -0.549665
C -1.728905 2.855189 -0.148202
C 0.382839 1.984263 -1.202517
C -0.031695 1.548861 1.210394
C -2.698330 0.138122 0.334680
C -2.953587 2.561309 0.731869
C 1.525357 0.996914 -1.208282
C 1.073185 0.522623 1.240888
C -4.877488 1.061583 1.052284
C 3.019853 -0.452195 0.098699
C -5.682841 -0.064590 0.447447
C 3.036761 -1.835601 0.284447
C 4.384966 0.008399 -0.030180
C 5.218253 -1.154259 0.085269
C 1.908451 -2.783193 0.488414
C -5.958123 -0.079819 -0.928630
C -6.185616 -1.084324 1.268332
C 4.983658 1.263674 -0.233943
C 6.621634 -1.076379 0.007071
C 1.252871 -3.157727 -0.839113
C 6.365497 1.336540 -0.308807
C -6.730691 -1.106205 -1.475983
C -6.961821 -2.107494 0.715335
C 7.174914 0.178102 -0.189155
C -7.235804 -2.120853 -0.655353
H -0.796502 -0.487476 -0.502304
H -1.799023 0.461507 -1.607273
H -2.076259 3.045927 -1.185697
H -1.246468 3.789237 0.190784
H 0.805643 2.998721 -1.038030
H -0.047516 2.022829 -2.227848
H -0.778033 1.284315 1.991857
H 0.386170 2.525261 1.535507
H -3.246025 -0.755415 -0.044531
H -2.385405 -0.097657 1.374698
H -2.656428 2.514891 1.801749
H -3.679366 3.399399 0.635092
H -5.496946 1.989904 1.016058
H -4.670423 0.865860 2.127864
H 4.682969 -3.216812 0.389991
H 2.240136 -3.696509 1.023935
H 1.163486 -2.306442 1.170736
H -5.553335 0.708931 -1.564586
H -5.976419 -1.084832 2.335692
H 4.362211 2.149449 -0.334933
H 7.236844 -1.964705 0.095830
H 0.935350 -2.265009 -1.394482
H 0.371341 -3.788714 -0.683878
H 1.945270 -3.703544 -1.491534
H 6.851745 2.296920 -0.466372
H -6.940888 -1.115986 -2.544152
H -7.352692 -2.896155 1.355826
H 8.256300 0.288327 -0.256671
H -7.839727 -2.917895 -1.083393


%chk=000272017-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272017

0 1
O 1.938262 0.151460 -2.556269
O 1.614191 0.480138 2.101066
N -3.678424 1.307967 0.312349
N 1.834663 0.345119 -0.223849
N 4.422860 -2.235351 -0.135278
C -0.810944 1.561744 -0.483583
C -1.570749 0.203416 -0.427575
C -1.860767 2.690691 -0.674891
C 0.179263 1.586484 -1.672619
C 0.035795 1.800802 0.792763
C -2.725761 0.205398 0.592737
C -3.008672 2.629248 0.352732
C 1.369623 0.641235 -1.546527
C 1.198119 0.829265 0.968161
C -4.879994 1.256416 1.179158
C 3.012397 -0.472575 -0.074075
C -5.788745 0.067778 0.877284
C 3.101919 -1.832695 -0.379342
C 4.308950 -0.010582 0.372698
C 5.183040 -1.150892 0.324384
C 2.073070 -2.788072 -0.916993
C -6.029984 -0.331686 -0.461893
C -6.442555 -0.624274 1.925807
C 4.822068 1.236372 0.809601
C 6.541357 -1.075768 0.697435
C 2.360313 -3.231980 -2.377840
C 6.178337 1.319345 1.179310
C -6.911041 -1.398064 -0.745364
C -7.329037 -1.690031 1.645199
C 7.029615 0.176623 1.124526
C -7.566970 -2.079949 0.307470
H -0.876050 -0.625122 -0.186184
H -1.994119 -0.001972 -1.429954
H -2.299465 2.595243 -1.687724
H -1.367327 3.681838 -0.616766
H 0.589452 2.612144 -1.789563
H -0.321565 1.337431 -2.624793
H -0.558860 1.737284 1.718234
H 0.460341 2.826585 0.760496
H -3.273277 -0.751502 0.528364
H -2.321749 0.276524 1.636341
H -2.617600 2.863333 1.378031
H -3.756895 3.407882 0.111702
H -5.443458 2.195648 1.004422
H -4.611401 1.246156 2.266825
H 4.773219 -3.179108 -0.284346
H 2.004095 -3.678944 -0.259886
H 1.086110 -2.293351 -0.877135
H -5.506878 0.197548 -1.266354
H -6.255993 -0.330812 2.966821
H 4.173792 2.117356 0.868131
H 7.197907 -1.952322 0.658289
H 2.415458 -2.346657 -3.032885
H 1.559360 -3.898901 -2.744880
H 3.317439 -3.780776 -2.455820
H 6.590709 2.275425 1.520452
H -7.088259 -1.698008 -1.784761
H -7.826801 -2.217025 2.467238
H 8.079772 0.273171 1.421760
H -8.251254 -2.907251 0.087661


