%chk=000187539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187539

0 1
O -1.493682 0.596960 1.336357
O 2.240603 -0.978412 -3.515885
O 4.098465 1.109396 2.635199
O 1.910627 1.523046 2.352313
N -1.362833 0.387163 -0.931187
N 0.792061 -0.008938 0.153917
N 0.465880 -0.313998 -2.223302
C -3.570180 1.025834 0.093271
C -4.306094 -0.237337 -0.368065
C -4.088182 1.478512 1.463383
C -3.714527 2.160426 -0.926488
C -2.070714 0.665319 0.267910
C 0.006918 0.007391 -1.029475
C 2.144957 -0.383903 0.027604
C 2.947060 -0.436021 1.298261
C 2.658527 -0.718767 -1.181566
C 1.840262 -0.698677 -2.411409
C 2.864152 0.822693 2.113159
H -3.979142 -0.586696 -1.353604
H -4.173539 -1.067978 0.337384
H -5.386427 -0.053331 -0.440139
H -3.919647 0.712890 2.233753
H -5.161817 1.692209 1.435966
H -3.576502 2.384893 1.812827
H -3.072975 3.016603 -0.681409
H -4.747042 2.535676 -0.945535
H -3.478777 1.850696 -1.950547
H -1.851725 0.419993 -1.840902
H 0.403421 0.326229 1.066154
H 4.019396 -0.671275 1.069543
H 2.608565 -1.298674 1.927029
H 3.695585 -1.016767 -1.320574
H 4.098326 1.933047 3.200454


%chk=000187539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187539

0 1
O -1.438665 0.726022 1.415802
O 2.214945 -1.068132 -3.562717
O 4.162490 1.185256 2.614291
O 1.884634 1.547074 2.333210
N -1.352536 0.327695 -0.871377
N 0.788180 -0.032252 0.138780
N 0.410020 -0.376162 -2.219053
C -3.533543 1.029335 0.110509
C -4.285937 -0.220217 -0.439595
C -4.118047 1.425002 1.486692
C -3.680492 2.219484 -0.884826
C -2.035676 0.688700 0.292765
C 0.004851 -0.044072 -1.004730
C 2.134539 -0.395438 0.027528
C 2.957476 -0.431188 1.299991
C 2.634009 -0.746212 -1.206704
C 1.781296 -0.751970 -2.417472
C 2.904712 0.860569 2.107929
H -3.933143 -0.525404 -1.442601
H -4.174215 -1.084023 0.240052
H -5.363048 0.011474 -0.523227
H -4.011585 0.604028 2.215876
H -5.191015 1.665425 1.377051
H -3.597831 2.304207 1.903147
H -3.124272 3.106218 -0.531732
H -4.747228 2.495156 -0.966573
H -3.323175 1.973900 -1.902386
H -1.843571 0.299671 -1.768949
H 0.353567 0.315232 1.017899
H 4.003277 -0.670345 1.060404
H 2.579716 -1.236108 1.964261
H 3.680341 -1.037570 -1.325667
H 4.100927 2.012847 3.165820


