%chk=000037496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000037496

0 1
O -1.961233 -1.433470 0.155885
N -1.017133 0.690485 0.121797
N -3.400160 0.365943 0.331623
C 0.366398 0.325433 0.079697
C 2.663571 1.099890 0.072483
C 2.172787 -1.273366 -0.097944
C 0.797507 -1.000522 -0.035238
C 1.296388 1.387320 0.136828
C 3.103718 -0.228441 -0.045688
C -2.102749 -0.221246 0.164523
C 3.669974 2.204931 0.131257
C 2.627884 -2.691820 -0.219312
C -4.528485 -0.586348 0.143496
C -3.667671 1.715662 -0.225093
H 0.073199 -1.820045 -0.069779
H 0.963638 2.414607 0.229756
H 4.166529 -0.442489 -0.094366
H -1.207024 1.686785 0.251358
H 4.312569 2.203538 -0.760873
H 3.211576 3.199149 0.198338
H 4.328324 2.091949 1.004875
H 3.718921 -2.789228 -0.272488
H 2.287537 -3.289572 0.639614
H 2.212484 -3.165211 -1.121236
H -4.843450 -0.688577 -0.905903
H -5.382676 -0.246965 0.751048
H -4.234304 -1.592253 0.506576
H -4.717885 1.996887 -0.032412
H -3.491333 1.785986 -1.310977
H -3.043002 2.465191 0.290455


%chk=000037496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037496

0 1
O -2.036337 -1.575954 -0.006872
N -1.055415 0.570096 0.011210
N -3.403415 0.326484 0.015639
C 0.330194 0.240299 0.001533
C 2.637530 1.111435 0.002780
C 2.220536 -1.320074 -0.027463
C 0.821753 -1.086609 -0.017904
C 1.245053 1.331709 0.011582
C 3.115780 -0.225709 -0.017261
C -2.151245 -0.309448 0.005798
C 3.610994 2.278797 0.016288
C 2.738942 -2.748886 -0.048787
C -4.610630 -0.514164 0.014645
C -3.572136 1.786004 0.026712
H 0.111326 -1.915958 -0.025194
H 0.863286 2.362449 0.026408
H 4.197556 -0.410296 -0.025004
H -1.250642 1.571438 0.025102
H 4.282422 2.250746 -0.862465
H 3.084701 3.249135 0.006767
H 4.253915 2.253502 0.916441
H 3.842231 -2.780895 -0.055702
H 2.387380 -3.314042 0.834719
H 2.376726 -3.291401 -0.942100
H -5.230325 -0.318793 -0.881912
H -5.222651 -0.332065 0.919237
H -4.289943 -1.566898 0.005422
H -4.648456 2.020178 0.026633
H -3.135117 2.268233 -0.872398
H -3.138114 2.254890 0.934444


