%chk=000198121.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198121

0 1
O -3.846266 -1.300207 -0.278967
N 3.446090 0.122331 0.082385
C 1.024075 0.349779 -0.128885
C -0.435044 -0.036244 -0.130245
C -0.727607 1.280435 0.442074
C 2.209338 -0.404150 -0.577868
C 0.742545 1.570905 0.398654
C -1.387172 -0.952981 -0.403798
C -1.986541 1.673610 0.740031
C -2.728623 -0.516224 -0.079104
C -3.026200 0.722745 0.462688
C 4.626215 -0.760084 -0.183243
C 5.789398 -0.353443 0.719439
C -3.669264 -2.616576 -0.850965
H 2.335147 -0.266338 -1.682573
H 2.048497 -1.496409 -0.415017
H 1.293947 2.432719 0.684500
H -1.191640 -1.927502 -0.826758
H -2.239752 2.640135 1.163791
H 3.288151 0.201848 1.093410
H -4.057967 0.983973 0.681623
H 4.403286 -1.841708 -0.049886
H 4.908446 -0.619288 -1.251733
H 5.996605 0.723001 0.636102
H 5.588852 -0.565752 1.775205
H 6.706106 -0.885721 0.442368
H -3.243777 -2.542468 -1.855582
H -4.704173 -2.982414 -0.890601
H -3.060471 -3.240771 -0.191145


%chk=000198121-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198121

0 1
O -4.010233 -1.211552 -0.449917
N 3.473432 -0.050345 0.230032
C 1.030523 0.168751 0.055211
C -0.494360 -0.091752 -0.031012
C -0.722486 1.214234 0.526291
C 2.233973 -0.642439 -0.300838
C 0.803473 1.423188 0.590930
C -1.510013 -0.961052 -0.381999
C -2.000607 1.693838 0.751409
C -2.854872 -0.459700 -0.148993
C -3.088209 0.813917 0.394735
C 4.715823 -0.750929 -0.157153
C 5.943285 -0.075064 0.476339
C -3.832481 -2.547371 -1.017583
H 2.321424 -0.696021 -1.408536
H 2.062846 -1.701916 0.031986
H 1.459592 2.232388 0.910592
H -1.330900 -1.953481 -0.804982
H -2.212745 2.680605 1.174878
H 3.415344 0.098957 1.246919
H -4.127252 1.123819 0.541696
H 4.702347 -1.835664 0.122486
H 4.800454 -0.711166 -1.261493
H 5.997356 0.984717 0.171941
H 5.893896 -0.113098 1.581764
H 6.874612 -0.580814 0.164556
H -3.310290 -2.510069 -1.994147
H -4.852237 -2.934397 -1.162309
H -3.279495 -3.214383 -0.326905


