%chk=000267778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267778

0 1
O -2.560980 -0.594314 -1.066214
O 0.212534 2.198866 0.263255
O 4.449403 -0.184405 0.739586
N -0.404455 0.064305 -0.332112
N 1.877174 0.582378 0.391008
N 3.447724 -1.173035 0.690199
C -1.806128 0.541585 -0.642101
C -2.510222 1.127479 0.591135
C -3.410609 0.001461 1.118411
C -3.466317 -1.037143 -0.006481
C -0.052932 -1.257646 -0.511707
C 0.592739 1.057090 0.138057
C 1.228112 -1.684896 -0.244095
C 2.177872 -0.717321 0.223168
H -1.751013 1.215681 -1.528768
H -3.099581 2.018065 0.301127
H -1.796750 1.493015 1.355985
H -2.997426 -0.433007 2.047104
H -4.415410 0.379112 1.377143
H -3.117637 -2.036677 0.294093
H -4.446274 -1.104221 -0.506890
H -0.828153 -1.947516 -0.885014
H 1.506973 -2.724384 -0.373849
H 3.883473 -1.916032 0.129911
H 4.094682 0.539660 1.368646


%chk=000267778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267778

0 1
O -2.547627 -0.510249 -1.166231
O 0.322437 2.243838 0.060260
O 4.309204 0.046142 0.901732
N -0.359455 0.026221 -0.283306
N 1.913187 0.531045 0.340338
N 3.468518 -1.085225 0.634311
C -1.731780 0.566204 -0.617820
C -2.475938 1.080066 0.635104
C -3.203458 -0.187945 1.145692
C -3.606598 -0.883370 -0.168402
C -0.062677 -1.316339 -0.374466
C 0.653201 1.023574 0.053345
C 1.204048 -1.796498 -0.089874
C 2.176833 -0.805674 0.284444
H -1.587466 1.343874 -1.384068
H -3.204534 1.848691 0.319920
H -1.789204 1.536845 1.361540
H -2.513731 -0.820975 1.732315
H -4.075619 0.050045 1.776469
H -3.631600 -1.984931 -0.112903
H -4.573110 -0.512192 -0.556716
H -0.882828 -1.956700 -0.707135
H 1.437305 -2.859797 -0.161682
H 3.979647 -1.956727 0.524204
H 3.588044 0.788177 0.784524


