%chk=000270366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270366

0 1
O -1.154307 0.856936 -0.816229
O -0.407508 -0.141188 1.068714
N 4.222398 1.339768 0.463392
C 0.995763 -0.073567 -0.985633
C 1.411977 -1.554339 -0.902799
C 2.137224 -1.840332 0.416953
C 3.407709 -0.988338 0.538882
C 2.079035 0.863140 -0.546302
C 3.159539 0.448418 0.150154
C -0.211006 0.167858 -0.081922
C -2.409798 1.223521 -0.170304
C -3.349382 0.021273 -0.186131
C -4.760825 0.415487 0.264167
C -5.705183 -0.784093 0.260090
H 0.705752 0.168834 -2.043027
H 2.074815 -1.786068 -1.759710
H 0.529816 -2.212896 -1.007224
H 2.389826 -2.912813 0.495180
H 1.452286 -1.614950 1.265596
H 4.204343 -1.396351 -0.121495
H 3.802397 -1.061064 1.571411
H 1.934391 1.899430 -0.832401
H -2.751345 2.053643 -0.813310
H -2.195509 1.581775 0.851476
H -3.375330 -0.419343 -1.202058
H -2.942801 -0.773606 0.473466
H 3.998845 2.325166 0.420457
H 4.757102 1.120111 1.291163
H -4.722266 0.855175 1.280967
H -5.162321 1.208336 -0.397425
H -5.794619 -1.225522 -0.739144
H -6.711941 -0.496737 0.583758
H -5.356577 -1.573866 0.936188


%chk=000270366-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270366

0 1
O -1.094854 0.707043 -0.622949
O -0.580030 -0.929504 0.958286
N 3.981520 1.649839 0.273742
C 0.989750 -0.457473 -0.932310
C 1.671828 -1.825898 -0.693424
C 2.502452 -1.832549 0.608189
C 3.618029 -0.766587 0.550358
C 1.919621 0.714499 -0.625259
C 3.108893 0.577061 0.042911
C -0.280390 -0.299571 -0.084102
C -2.344793 1.026379 0.129332
C -3.503406 0.124667 -0.317944
C -4.825589 0.493538 0.395708
C -6.003077 -0.400154 -0.050200
H 0.663483 -0.383900 -1.988988
H 2.337069 -2.034084 -1.554747
H 0.910033 -2.626243 -0.658512
H 2.953118 -2.830972 0.765315
H 1.829102 -1.634544 1.460856
H 4.437197 -1.109411 -0.115722
H 4.066602 -0.634194 1.556818
H 1.584817 1.704353 -0.961085
H -2.537014 2.085786 -0.111032
H -2.148130 0.908633 1.210700
H -3.633067 0.213940 -1.414305
H -3.245402 -0.928947 -0.100070
H 3.754238 2.585352 -0.052865
H 4.794972 1.533334 0.870412
H -4.688816 0.403713 1.492414
H -5.071261 1.556661 0.195343
H -6.182629 -0.306718 -1.137771
H -6.937669 -0.125663 0.472302
H -5.794096 -1.464587 0.165497


