%chk=000228106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228106

0 1
O 2.829092 0.166067 1.823227
O 1.426644 -2.148856 -0.554099
O 5.076172 -0.459183 0.650920
O 5.341024 -0.924501 -1.769540
N -1.787858 0.333765 0.519876
N -0.923510 -0.580429 -0.002210
N -1.283852 1.009613 1.594690
C 2.691578 -0.407057 0.517255
C 1.431869 -1.314970 0.608337
C 3.961727 -1.227577 0.184002
C 0.195779 -0.494365 0.771180
C 4.116785 -1.519731 -1.322240
C -0.035821 0.515444 1.779583
C -3.115650 0.559191 -0.009712
C -3.612735 -0.286132 -1.016675
C -3.884665 1.622322 0.495125
C -4.894555 -0.053714 -1.519249
C -5.164125 1.833008 -0.022160
C -5.670303 1.000807 -1.026374
H 2.542478 0.436155 -0.191960
H 1.533208 -2.039099 1.458430
H 4.017343 -2.152065 0.803215
H 4.106106 -2.601199 -1.538680
H 3.346529 -1.026609 -1.944898
H 0.660407 0.843496 2.541091
H 3.796948 0.260231 2.050879
H 0.789472 -1.830695 -1.232728
H 5.343886 0.208701 -0.042111
H 6.109679 -1.422107 -1.404289
H -3.009368 -1.111570 -1.400363
H -3.490211 2.271699 1.280961
H -5.290468 -0.702675 -2.300892
H -5.770006 2.654031 0.362495
H -6.669500 1.173705 -1.424085


%chk=000228106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228106

0 1
O 2.886196 0.300936 1.839267
O 1.314293 -1.843071 -0.735342
O 5.119649 -0.264444 0.645251
O 5.603104 -1.758559 -1.592145
N -1.811505 0.368185 0.569343
N -0.870511 -0.481522 0.024350
N -1.379248 1.056404 1.687210
C 2.730972 -0.260866 0.493402
C 1.459102 -1.135675 0.543471
C 3.996932 -1.073988 0.133066
C 0.218624 -0.326374 0.836358
C 4.205423 -1.302775 -1.373598
C -0.096722 0.617632 1.857203
C -3.124297 0.529432 0.024392
C -3.500372 -0.208105 -1.122853
C -4.024708 1.427303 0.645669
C -4.797350 -0.038694 -1.650842
C -5.317153 1.583106 0.103551
C -5.710556 0.854489 -1.043605
H 2.598413 0.554187 -0.250356
H 1.604731 -1.880713 1.353207
H 3.981646 -2.049108 0.668635
H 3.461917 -2.011353 -1.773576
H 4.143159 -0.347072 -1.919758
H 0.535993 0.989395 2.655634
H 3.851087 0.539954 1.920102
H 0.371632 -1.724126 -1.036670
H 5.923423 -0.531795 0.121371
H 5.657945 -2.734420 -1.433902
H -2.786119 -0.895492 -1.582787
H -3.703627 1.981758 1.530991
H -5.093764 -0.606868 -2.539166
H -6.018306 2.276697 0.580004
H -6.715902 0.981243 -1.458877


