%chk=000188565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188565

0 1
O -2.010462 -0.885807 -1.769622
O -0.351901 1.678943 2.004716
N -1.110484 1.719499 -0.164005
N -1.547447 -1.472631 0.377632
C 2.516759 0.256358 1.306701
C 3.152082 -0.849114 0.453205
C 2.436861 1.622262 0.610972
C 2.122603 -1.649910 -0.356281
C 1.806631 1.590078 -0.795002
C 1.449677 -0.835457 -1.471667
C 0.849174 0.440868 -0.943787
C -0.454697 0.516438 -0.606485
C -1.403031 -0.650250 -0.730297
C -0.933172 -1.203752 1.692779
C -2.516979 -2.591056 0.332044
C -1.019715 2.215442 1.135390
H 3.085479 0.371762 2.249349
H 1.484971 -0.041247 1.621324
H 3.706568 -1.545885 1.111998
H 3.909989 -0.414700 -0.226240
H 3.445492 2.070372 0.541305
H 1.837484 2.296352 1.260544
H 1.345460 -2.057039 0.321159
H 2.617003 -2.531948 -0.809408
H 2.608833 1.514642 -1.557313
H 1.301066 2.555774 -0.995771
H 0.680952 -1.461419 -1.975657
H 2.190243 -0.601654 -2.264258
H -1.724469 2.145319 -0.857242
H -0.596402 -2.140410 2.162664
H -1.642284 -0.700749 2.372773
H -0.046695 -0.526643 1.604934
H -3.328858 -2.444999 1.061878
H -2.011281 -3.546469 0.544232
H -2.971298 -2.660826 -0.677595
H -1.599853 3.139357 1.300432


%chk=000188565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188565

0 1
O -2.375145 -0.476019 -1.732229
O -0.365565 2.062239 2.010718
N -1.155215 1.797207 -0.191846
N -1.802259 -1.523953 0.277500
C 3.027868 0.413339 1.305854
C 3.502762 -0.744850 0.388645
C 2.584706 1.708120 0.579251
C 2.347654 -1.655684 -0.097220
C 1.755171 1.497482 -0.728207
C 1.343467 -1.020384 -1.103466
C 0.772394 0.337184 -0.712281
C -0.563416 0.506793 -0.481452
C -1.633374 -0.549283 -0.693009
C -1.113865 -1.526215 1.580201
C -2.819775 -2.569848 0.073282
C -1.055790 2.448886 1.025599
H 3.835560 0.680758 2.015156
H 2.184964 0.047352 1.926571
H 4.216254 -1.379796 0.950585
H 4.065642 -0.342262 -0.479140
H 3.477672 2.307022 0.309231
H 1.989656 2.307747 1.289244
H 1.793309 -2.007708 0.795414
H 2.770521 -2.559229 -0.581314
H 2.458893 1.314183 -1.564370
H 1.222919 2.440391 -0.954112
H 0.531668 -1.746746 -1.292493
H 1.872321 -0.880054 -2.069443
H -1.854309 2.135394 -0.862495
H -0.440521 -2.400553 1.671909
H -1.863570 -1.581339 2.392818
H -0.530599 -0.601727 1.711685
H -3.637394 -2.469698 0.813097
H -2.365593 -3.572527 0.183771
H -3.236411 -2.458072 -0.939345
H -1.662302 3.383353 1.047290


