%chk=000246644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246644

0 1
O -4.109619 -0.463276 0.495879
O 2.974303 -0.231800 0.008509
O 2.109240 1.745375 0.678056
N -1.730877 0.719572 -0.517708
N 0.653778 -2.378033 -1.042136
C -2.289458 -0.515516 -1.124787
C -2.804606 1.567624 0.080736
C -3.077366 -1.302395 -0.065445
C -3.602809 0.738046 1.105176
C -0.450986 0.880665 -0.071371
C 0.647886 0.055941 -0.210044
C 1.935351 0.635167 0.206312
C 4.313107 0.247669 0.396342
C 0.649069 -1.277673 -0.676579
C 5.212792 -0.921232 0.061637
H -1.506710 -1.138594 -1.604039
H -2.971926 -0.203896 -1.953394
H -3.474947 1.907007 -0.744544
H -2.384903 2.483347 0.547783
H -3.661747 -2.132073 -0.505483
H -2.430617 -1.685478 0.743200
H -2.995293 0.472356 1.988273
H -4.530171 1.250194 1.423464
H -0.253219 1.867452 0.417919
H 4.525642 1.156413 -0.192069
H 4.282071 0.492465 1.471631
H 6.258855 -0.702229 0.303658
H 4.915993 -1.825647 0.612263
H 5.154966 -1.178349 -1.005940


%chk=000246644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246644

0 1
O -4.459533 -0.254123 0.288771
O 3.083085 -0.260169 -0.048998
O 2.108642 1.688966 0.796576
N -1.734644 0.528289 -0.254784
N 0.761108 -2.404855 -1.372905
C -2.328325 -0.651021 -0.934934
C -2.753820 1.536981 0.134285
C -3.435850 -1.259055 -0.049061
C -3.844086 0.873904 1.002355
C -0.417923 0.734956 0.015021
C 0.722394 -0.039788 -0.228225
C 1.996910 0.567025 0.228050
C 4.422358 0.256054 0.365328
C 0.742265 -1.323639 -0.852282
C 5.438562 -0.811557 -0.026324
H -1.555987 -1.402368 -1.152213
H -2.769426 -0.313256 -1.893316
H -3.219961 1.947025 -0.783570
H -2.268380 2.361921 0.683398
H -3.970093 -2.055479 -0.590608
H -2.992454 -1.675867 0.880070
H -3.405291 0.525960 1.962284
H -4.664021 1.581265 1.206822
H -0.196082 1.687051 0.517019
H 4.597823 1.219222 -0.147690
H 4.401913 0.445092 1.454073
H 6.455217 -0.482495 0.256675
H 5.223984 -1.764779 0.485953
H 5.419415 -0.992160 -1.114472


