%chk=000201327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201327

0 1
O -1.193032 2.825658 -0.002075
N 0.122428 -1.369390 -0.001058
N 0.690769 1.687121 0.001162
C 1.397546 -0.736390 -0.000629
C -1.179368 -0.860676 -0.000609
C 1.659194 0.652306 0.000799
C -1.569373 0.490411 -0.000043
C -0.721240 1.691367 -0.000965
C 2.489997 -1.637146 -0.001436
C -2.187806 -1.877660 -0.000446
C 3.004940 1.092700 0.001765
C -2.958393 0.791195 0.001220
C 3.804691 -1.183048 -0.000620
C -3.529707 -1.545571 0.000759
C 4.063682 0.191041 0.001102
C -3.927519 -0.196681 0.001743
H 0.182090 -2.396510 -0.001836
H 1.084582 2.645460 0.001313
H 2.303165 -2.711616 -0.002841
H -1.896645 -2.925802 -0.001214
H 3.218785 2.162704 0.002907
H -3.253448 1.850452 0.001669
H 4.627004 -1.896640 -0.001329
H -4.286893 -2.331930 0.000931
H 5.089718 0.556327 0.001861
H -4.983166 0.062118 0.002871


%chk=000201327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201327

0 1
O -1.224682 2.889689 -0.000580
N 0.131971 -1.358248 -0.000169
N 0.681596 1.662545 0.001794
C 1.410822 -0.758852 0.000035
C -1.182702 -0.867319 0.000337
C 1.669071 0.641990 0.000810
C -1.589535 0.504050 0.001028
C -0.713760 1.721153 0.001828
C 2.518703 -1.650022 -0.000869
C -2.198005 -1.873915 -0.000169
C 3.017313 1.087300 0.000729
C -2.981964 0.800196 0.000989
C 3.850908 -1.195574 -0.000916
C -3.563539 -1.553247 -0.000086
C 4.105782 0.193588 -0.000078
C -3.970338 -0.196483 0.000513
H 0.176220 -2.379394 -0.000856
H 1.061547 2.615832 0.001719
H 2.318280 -2.729914 -0.001569
H -1.891124 -2.928583 -0.000700
H 3.207277 2.168555 0.001377
H -3.248142 1.862076 0.001448
H 4.673862 -1.916946 -0.001633
H -4.306905 -2.358023 -0.000522
H 5.130265 0.577732 -0.000079
H -5.030919 0.071616 0.000621


