%chk=000231903.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231903

0 1
O 0.419287 -1.355704 -1.552654
N 1.895074 -1.467419 0.173342
N 4.497783 -0.176446 0.213171
C -0.351949 -0.416861 0.542280
C 2.445932 -0.875421 1.418788
C 2.978956 -1.891112 -0.759401
C 0.660411 -1.075548 -0.393256
C -1.752387 -0.981303 0.371361
C -0.539666 1.053081 0.205053
C 3.395499 0.301405 1.110305
C 3.937533 -0.723055 -1.067885
C -2.664705 0.060931 0.022096
C -1.913904 1.319927 -0.083091
C -2.187311 -2.285366 0.527940
C 0.402575 2.064798 0.166369
C 5.452178 0.935906 -0.071615
C -4.011261 -0.216149 -0.161627
C -2.327736 2.605164 -0.400195
C -3.555684 -2.557991 0.338426
C -0.024947 3.366482 -0.156559
C -4.450622 -1.542610 0.002216
C -1.365691 3.631526 -0.432933
H -0.043786 -0.522204 1.616436
H 3.006017 -1.679804 1.953624
H 1.624878 -0.546973 2.093970
H 2.527236 -2.276909 -1.703541
H 3.530248 -2.731088 -0.280865
H 2.812662 1.155426 0.682055
H 3.854740 0.662542 2.055575
H 4.787086 -1.100304 -1.677682
H 3.414568 0.043046 -1.680257
H -1.495302 -3.086617 0.776380
H 1.458798 1.864130 0.370704
H 6.283571 0.544232 -0.680917
H 5.890812 1.285723 0.876884
H 5.019118 1.800844 -0.594998
H -4.713788 0.568420 -0.430745
H -3.370177 2.818835 -0.623727
H -3.913598 -3.580292 0.452839
H 0.705488 4.172982 -0.192712
H -5.504538 -1.775523 -0.141577
H -1.677599 4.644798 -0.682179


%chk=000231903-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231903

0 1
O 0.282856 -1.510937 -1.552763
N 1.933475 -1.015369 0.005924
N 4.725452 -0.324658 0.253987
C -0.456449 -0.371913 0.494279
C 2.466277 -0.493852 1.281709
C 2.958800 -1.688321 -0.826774
C 0.607502 -1.011400 -0.432967
C -1.845850 -0.991539 0.341389
C -0.723851 1.111558 0.190307
C 3.700876 0.400967 1.034308
C 4.171122 -0.768647 -1.048730
C -2.809865 0.016885 0.053436
C -2.117156 1.314653 -0.047900
C -2.230395 -2.334919 0.474325
C 0.175129 2.189620 0.129941
C 5.975304 0.446590 0.108922
C -4.173994 -0.317010 -0.094344
C -2.613020 2.605781 -0.329635
C -3.598663 -2.671693 0.324129
C -0.323825 3.486090 -0.155826
C -4.561765 -1.669597 0.044884
C -1.707153 3.691112 -0.380162
H -0.141169 -0.483945 1.550689
H 2.772806 -1.343550 1.925772
H 1.701569 0.091292 1.813788
H 2.482691 -1.963697 -1.781157
H 3.293698 -2.609986 -0.309522
H 3.374688 1.339738 0.511857
H 4.133233 0.692024 2.009945
H 4.953675 -1.327504 -1.594327
H 3.862275 0.100461 -1.684137
H -1.488104 -3.116338 0.670326
H 1.249621 2.041509 0.283357
H 6.725741 -0.162849 -0.425232
H 6.381226 0.690068 1.107173
H 5.842303 1.404175 -0.454834
H -4.921578 0.452658 -0.317005
H -3.681003 2.769319 -0.511970
H -3.915770 -3.716408 0.417195
H 0.366588 4.335439 -0.208568
H -5.615180 -1.949272 -0.069389
H -2.076316 4.698963 -0.601002


