%chk=000220487.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220487

0 1
O 3.969836 -0.596418 -0.083429
O -3.968952 -0.602462 0.083566
N 1.210221 -0.133913 -0.025596
N -1.210047 -0.135755 0.025602
N 0.001699 -2.252616 -0.000034
N 2.350635 -2.269924 -0.049533
N -2.347206 -2.273500 0.049589
C -0.001534 1.995675 0.000029
C -0.000410 0.519167 0.000025
C 1.216161 2.701482 -0.025617
C -1.220303 2.699625 0.025679
C 1.170741 -1.506967 -0.024733
C -1.168478 -1.508748 0.024651
C 1.209071 4.097529 -0.025472
C -1.215341 4.095682 0.025550
C -0.003667 4.794502 0.000043
C 3.699974 -1.766561 -0.077926
C -3.697307 -1.772193 0.078109
C 4.703174 -2.886272 -0.099305
C -4.698797 -2.893431 0.099633
H 2.165677 2.152941 -0.045626
H -2.168982 2.149638 0.045682
H 2.151402 4.642427 -0.045301
H -2.158501 4.639142 0.045385
H -0.004497 5.883958 0.000049
H 2.199758 -3.289176 -0.046397
H -2.194776 -3.292521 0.046473
H 4.605179 -3.526890 -0.986520
H 5.724940 -2.468424 -0.120919
H 4.642854 -3.527048 0.791156
H -4.637607 -3.534133 -0.790822
H -5.721196 -2.477138 0.121358
H -4.599722 -3.533879 0.986850


%chk=000220487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220487

0 1
O 4.081650 -0.624371 -0.084710
O -4.080651 -0.630526 0.085039
N 1.216690 -0.077723 -0.025227
N -1.216545 -0.079579 0.025463
N 0.001671 -2.184063 0.000124
N 2.319637 -2.206415 -0.048546
N -2.316268 -2.209929 0.048765
C -0.001556 2.040098 0.000074
C -0.000417 0.563454 0.000126
C 1.229662 2.750791 -0.024526
C -1.233890 2.748857 0.024618
C 1.153158 -1.433339 -0.024252
C -1.150956 -1.435094 0.024495
C 1.223891 4.159960 -0.024434
C -1.230327 4.158032 0.024417
C -0.003773 4.866146 -0.000037
C 3.682935 -1.811855 -0.076948
C -3.680159 -1.817411 0.077156
C 4.626040 -3.017610 -0.098529
C -4.621466 -3.024572 0.098650
H 2.163034 2.179024 -0.043222
H -2.166366 2.175631 0.043358
H 2.171558 4.708939 -0.043376
H -2.178852 4.705528 0.043318
H -0.004636 5.962258 -0.000080
H 2.121294 -3.211568 -0.044703
H -2.116419 -3.214783 0.044895
H 4.449202 -3.646494 -0.990780
H 5.662283 -2.652309 -0.120646
H 4.488052 -3.648258 0.799302
H -4.482536 -3.654938 -0.799233
H -5.658252 -2.660815 0.120799
H -4.443691 -3.653265 0.990850


