%chk=000205560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205560

0 1
O 1.506294 -2.274951 0.285317
O -3.756615 1.647406 0.848691
N 2.553131 0.510196 -0.323047
N -3.284386 -0.410391 -0.070390
C 3.689780 -0.455578 -0.243591
C 2.926169 1.937623 -0.131458
C 1.254411 0.089649 -0.021082
C 0.259565 0.914401 0.417656
C 4.041412 -0.955660 -1.644601
C 3.239195 2.307086 1.318434
C 0.947290 -1.370638 -0.295359
C -1.145417 0.626541 0.505551
C -1.858439 -0.258542 -0.241885
C -0.069523 -1.590115 -1.343592
C -1.320087 -1.107154 -1.303024
C -4.150132 0.564983 0.458192
C -5.593952 0.140204 0.497615
H 4.572827 0.036699 0.219423
H 3.438696 -1.317516 0.422286
H 3.808947 2.140427 -0.780612
H 2.100422 2.575954 -0.524305
H 0.515252 1.920733 0.767444
H 3.209461 -1.510985 -2.094822
H 4.280773 -0.129156 -2.323917
H 4.905971 -1.628417 -1.612571
H 2.404305 2.066534 1.990063
H 4.116387 1.772300 1.699906
H 3.439759 3.379978 1.417026
H -1.686152 1.262311 1.230049
H 0.274666 -2.222759 -2.165446
H -2.017573 -1.354252 -2.113459
H -3.666800 -1.306946 -0.366175
H -6.207157 0.957048 0.915330
H -5.756276 -0.736852 1.137197
H -5.996605 -0.081658 -0.498442


%chk=000205560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205560

0 1
O 2.100823 -2.456128 0.016107
O -3.731445 1.824688 0.828528
N 2.641007 0.394668 -0.076990
N -3.347616 -0.289847 -0.130722
C 3.836411 -0.371973 -0.536527
C 2.895866 1.847088 0.107016
C 1.360884 -0.132074 0.024094
C 0.297329 0.714723 0.461590
C 3.946268 -0.420899 -2.075912
C 3.227491 2.221287 1.569407
C 1.149771 -1.605944 -0.196074
C -1.111404 0.602884 0.437597
C -1.920013 -0.413975 -0.109574
C -0.119726 -2.115198 -0.698103
C -1.422703 -1.629654 -0.670469
C -4.166209 0.752757 0.309229
C -5.659740 0.480049 0.118847
H 4.724045 0.127751 -0.106013
H 3.769336 -1.394412 -0.135675
H 3.751423 2.110668 -0.540668
H 2.034787 2.432303 -0.263055
H 0.616606 1.663662 0.905181
H 3.090929 -0.969719 -2.507009
H 3.973456 0.590770 -2.523370
H 4.871566 -0.950361 -2.368302
H 2.392375 1.980406 2.250044
H 4.116629 1.667977 1.920774
H 3.439594 3.303253 1.649764
H -1.656615 1.451935 0.861715
H 0.007649 -3.131449 -1.096228
H -2.178402 -2.307904 -1.098736
H -3.838386 -1.096578 -0.524695
H -6.217185 1.382409 0.408893
H -5.997453 -0.360202 0.754058
H -5.901747 0.235542 -0.932321


