%chk=000251398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251398

0 1
O 4.598564 -0.660656 -0.206584
O 1.261564 2.482459 0.135418
O -3.250674 1.836755 0.446847
N 1.763639 -0.459935 0.033849
N -1.927300 -0.055342 0.386923
N -0.972050 2.159934 0.294483
N -0.509419 -2.005053 0.425401
C 2.457570 -0.034538 -1.230279
C 2.654109 -0.186815 1.214743
C 0.482534 0.204775 0.182847
C 3.751077 -0.852508 -1.357429
C 3.944553 -0.998974 1.033666
C -0.632938 -0.621212 0.303438
C -3.157035 -0.900411 0.486199
C 0.381221 1.648811 0.200166
C -2.128990 1.372617 0.377529
C -3.583789 -1.424672 -0.893116
C -4.732695 -2.417288 -0.759684
H 2.693278 1.056148 -1.235159
H 1.785431 -0.228876 -2.089695
H 2.123856 -0.495468 2.138483
H 2.894503 0.896945 1.317658
H 3.548964 -1.930946 -1.474939
H 4.390847 -0.489606 -2.181699
H 4.711267 -0.731033 1.782484
H 3.755106 -2.085970 1.051099
H -3.976687 -0.270291 0.920499
H -2.986509 -1.723634 1.212804
H -3.894822 -0.569816 -1.531996
H -2.734888 -1.891890 -1.426621
H -1.100238 3.183142 0.303974
H -1.263130 -2.606928 0.130142
H 0.427620 -2.383928 0.267855
H -5.610542 -1.960913 -0.283463
H -5.057519 -2.777044 -1.744636
H -4.456878 -3.296440 -0.166908


%chk=000251398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251398

0 1
O 4.660346 -0.720698 -0.198656
O 1.241907 2.589112 0.159302
O -3.352281 1.786204 0.515269
N 1.791612 -0.351371 0.053484
N -1.920621 -0.077377 0.388002
N -1.045697 2.128113 0.338552
N -0.411440 -1.934980 0.221337
C 2.500803 -0.042675 -1.230219
C 2.706529 -0.113967 1.217051
C 0.496777 0.275257 0.180317
C 3.752485 -0.928223 -1.339006
C 3.955061 -0.997621 1.063518
C -0.618510 -0.577813 0.258251
C -3.104767 -0.970038 0.468650
C 0.325293 1.709241 0.221562
C -2.179375 1.325553 0.418392
C -3.599594 -1.459498 -0.912922
C -4.826134 -2.385487 -0.771689
H 2.787799 1.029293 -1.267984
H 1.816599 -0.253865 -2.072521
H 2.171378 -0.377150 2.147948
H 2.999813 0.955955 1.268766
H 3.452704 -1.999595 -1.385833
H 4.342803 -0.670988 -2.234093
H 4.687783 -0.789360 1.860719
H 3.661801 -2.071210 1.098044
H -3.902071 -0.376827 0.946690
H -2.871965 -1.818463 1.141015
H -3.865541 -0.573334 -1.518112
H -2.788021 -1.983512 -1.455029
H -1.209634 3.139038 0.363375
H -1.151938 -2.627221 0.203756
H 0.580999 -2.183713 0.127061
H -5.663849 -1.861001 -0.276627
H -5.180445 -2.723950 -1.761166
H -4.591006 -3.286428 -0.172908


