%chk=000216044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216044

0 1
O 0.415352 -1.868362 0.010997
N -0.430567 0.284283 0.002338
N 3.640670 1.312385 0.004538
N 2.288390 1.241609 0.005339
C -1.835723 0.002273 0.002176
C -2.746365 1.095048 -0.003782
C 1.979419 -0.092261 0.005566
C 4.232914 0.033236 0.004258
C 0.603826 -0.664740 0.006639
C 3.177194 -0.877936 0.004913
C -2.320978 -1.315637 0.007698
C -4.119035 0.824530 -0.003914
C -2.277226 2.515291 -0.009873
C -3.696574 -1.554654 0.007375
C -4.597913 -0.489384 0.001611
C 5.692699 -0.164324 0.003404
H -0.172158 1.277857 -0.000443
H 3.214891 -1.951133 0.005060
H -1.623753 -2.161827 0.012254
H -4.828697 1.651074 -0.008413
H -1.676505 2.747957 0.881259
H -1.673857 2.739441 -0.901400
H -3.114012 3.227746 -0.014527
H 4.104588 2.208988 0.004349
H -4.061275 -2.581025 0.011671
H -5.668935 -0.676774 0.001397
H 6.171878 0.271233 -0.887197
H 6.173137 0.272534 0.892685
H 5.946414 -1.238327 0.004021


%chk=000216044-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216044

0 1
O 0.426339 -2.114475 0.009713
N -0.432083 0.097707 0.002063
N 3.472963 1.296325 0.000078
N 2.102482 1.127205 0.000128
C -1.838101 -0.093193 0.002048
C -2.664156 1.077698 -0.002861
C 1.944215 -0.236538 0.004330
C 4.180383 0.095025 0.003973
C 0.585171 -0.853910 0.005909
C 3.202912 -0.912734 0.006746
C -2.424710 -1.387305 0.006759
C -4.066956 0.907592 -0.002833
C -2.053379 2.470165 -0.007963
C -3.829355 -1.519778 0.006599
C -4.659523 -0.376766 0.001825
C 5.681478 0.043120 0.004560
H -0.086801 1.064814 -0.000753
H 3.350645 -1.989539 0.010152
H -1.773857 -2.263707 0.010452
H -4.704339 1.800553 -0.006556
H -1.422754 2.653515 0.885366
H -1.421288 2.646312 -0.901695
H -2.844245 3.238759 -0.011684
H 3.852513 2.242101 -0.002593
H -4.270902 -2.522793 0.010268
H -5.750205 -0.479442 0.001711
H 6.112398 0.528845 -0.891225
H 6.111918 0.535485 0.896943
H 6.017037 -1.005941 0.008540


