%chk=000104863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104863

0 1
O 5.089637 -2.099207 -0.064412
N 1.397814 2.043788 0.013343
N -4.228479 -1.022401 0.022538
C 0.534418 -0.157687 -0.005374
C -0.472402 -1.065273 -0.007938
C 0.279809 1.322614 0.013890
C -1.852579 -0.579549 0.008734
C -2.103479 0.872746 0.027643
C -1.091859 1.794774 0.030341
C 1.993106 -0.257415 -0.018194
C 2.481638 1.104720 -0.006254
C -2.915286 -1.458669 0.006980
C -3.508214 1.264379 0.043386
C -0.215719 -2.536713 -0.027155
C -1.294104 3.273185 0.049236
C 2.878505 -1.320606 -0.037612
C -4.516768 0.360280 0.040896
C 3.843949 1.383191 -0.013903
C 4.250723 -1.002624 -0.044885
C 4.744952 0.308997 -0.033590
C -5.348196 -1.987316 0.020202
H -2.764321 -2.545377 -0.006854
H -3.724074 2.336503 0.057571
H -0.624829 -3.032663 0.863152
H 0.866300 -2.767233 -0.038393
H -0.638923 -3.011781 -0.922255
H -0.801999 3.716655 0.930350
H -2.347367 3.572810 0.060977
H -0.815749 3.737264 -0.828832
H 2.549999 -2.357331 -0.047036
H -5.572154 0.638511 0.052517
H 4.198802 2.412505 -0.004775
H 5.812542 0.498839 -0.039931
H -5.974160 -1.863237 0.923328
H -4.988498 -3.030068 0.005381
H -5.988220 -1.842592 -0.869898
H 6.039287 -1.834121 -0.068375


%chk=000104863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104863

0 1
O 5.217709 -2.092938 -0.067841
N 1.393659 2.044064 0.014507
N -4.267387 -1.033951 0.022067
C 0.533093 -0.178440 -0.004102
C -0.507269 -1.104210 -0.006269
C 0.262623 1.289824 0.015040
C -1.863759 -0.578195 0.009881
C -2.128452 0.885187 0.028596
C -1.072660 1.812794 0.031444
C 1.999846 -0.268701 -0.017578
C 2.456475 1.107959 -0.005419
C -2.953624 -1.456902 0.007759
C -3.526612 1.267268 0.043301
C -0.280816 -2.606236 -0.024645
C -1.231197 3.318177 0.049844
C 2.943508 -1.320831 -0.038255
C -4.547313 0.343902 0.040039
C 3.834764 1.408913 -0.013940
C 4.318743 -0.998941 -0.046665
C 4.767909 0.349987 -0.034677
C -5.387167 -1.994382 0.018540
H -2.811393 -2.539389 -0.005832
H -3.799919 2.324706 0.057664
H -0.719913 -3.095903 0.866691
H 0.788971 -2.847155 -0.034726
H -0.732387 -3.076126 -0.920379
H -0.715388 3.740003 0.931900
H -2.280951 3.655320 0.060522
H -0.726899 3.760190 -0.828970
H 2.677515 -2.381248 -0.048600
H -5.604113 0.618726 0.050878
H 4.164744 2.452212 -0.004585
H 5.845046 0.568627 -0.041686
H -6.008646 -1.868303 0.923255
H -4.994411 -3.022728 0.003612
H -6.021145 -1.846994 -0.874202
H 6.150918 -1.766391 -0.072374


