%chk=000282554.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282554

0 1
O 3.490140 -0.016459 1.011474
O -3.490136 0.007334 -1.011535
N 1.821801 -0.009262 -0.562748
N -1.821821 -0.000328 0.562704
C 0.680550 -0.007355 0.408436
C -0.680569 -0.002220 -0.408472
C 0.767838 -1.287542 1.274677
C 0.775297 1.269798 1.278317
C -0.775344 -1.279381 -1.278355
C -0.767853 1.277949 -1.274705
C 0.628061 -2.557105 0.425959
C 0.643061 2.542561 0.433182
C -0.643094 -2.552142 -0.433234
C -0.628119 2.547511 -0.425968
C 3.159282 -0.013628 -0.164209
C -3.159295 0.004300 0.164151
C 4.152549 -0.014717 -1.297457
C -4.152578 0.005339 1.297386
H -0.001938 -1.269858 2.065457
H 1.744118 -1.299258 1.809742
H 1.751587 1.274251 1.813468
H 0.005368 1.254426 2.068986
H -0.005440 -1.263998 -2.069056
H -1.751647 -1.283804 -1.813468
H -1.744126 1.289672 -1.809794
H 0.001941 1.260292 -2.065459
H 0.628479 -3.444262 1.087836
H 1.518371 -2.667752 -0.223779
H 1.534003 2.649763 -0.216256
H 0.648738 3.427825 1.097559
H -0.648729 -3.437403 -1.097624
H -1.534051 -2.659384 0.216178
H -1.518416 2.658092 0.223797
H -0.628602 3.434676 -1.087827
H 1.580757 -0.006885 -1.549465
H -1.580785 -0.003214 1.549422
H 5.177268 -0.017747 -0.889800
H 4.059950 -0.902157 -1.935103
H 4.064418 0.874664 -1.933022
H -5.177287 0.009394 0.889717
H -4.065037 -0.884551 1.932319
H -4.059407 0.892265 1.935667


%chk=000282554-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282554

0 1
O 3.559601 -0.016853 1.047386
O -3.559637 0.007818 -1.047426
N 1.814638 -0.009343 -0.512891
N -1.814673 -0.000213 0.512847
C 0.662664 -0.007362 0.438516
C -0.662699 -0.002242 -0.438560
C 0.731866 -1.302943 1.304672
C 0.739382 1.285368 1.308388
C -0.739437 -1.294981 -1.308424
C -0.731876 1.293331 -1.304724
C 0.622512 -2.584608 0.445902
C 0.637663 2.570034 0.453229
C -0.637703 -2.579644 -0.453263
C -0.622538 2.574998 -0.445956
C 3.152331 -0.013795 -0.156184
C -3.152366 0.004444 0.156143
C 4.117945 -0.014534 -1.346361
C -4.117978 0.005138 1.346321
H -0.080376 -1.289644 2.060033
H 1.683246 -1.287764 1.865139
H 1.690568 1.263025 1.868935
H -0.073035 1.274645 2.063590
H 0.072957 -1.284266 -2.063650
H -1.690636 -1.272637 -1.868950
H -1.683244 1.278153 -1.865214
H 0.080389 1.280021 -2.060059
H 0.614504 -3.472187 1.107132
H 1.527745 -2.670789 -0.187132
H 1.543391 2.652621 -0.179572
H 0.634853 3.455811 1.116906
H -0.634902 -3.465423 -1.116937
H -1.543420 -2.662233 0.179552
H -1.527781 2.661178 0.187064
H -0.614519 3.462575 -1.107188
H 1.603419 -0.006833 -1.511804
H -1.603454 -0.002869 1.511760
H 5.148257 -0.017522 -0.962380
H 3.971999 -0.908460 -1.980891
H 3.976325 0.881688 -1.978626
H -5.148288 0.009301 0.962342
H -3.977137 -0.891723 1.977855
H -3.971256 0.898418 1.981578


