%chk=000180559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180559

0 1
O -0.895816 -1.233887 -1.613255
O -1.852177 -0.874404 1.587295
O 5.996001 -0.168521 1.147851
N -3.756399 1.264191 1.236421
N 4.682347 1.089917 -0.200409
C -3.629801 0.151408 0.252091
C -2.170126 -0.351462 0.284450
C -3.382332 2.609199 0.695496
C -1.934236 -1.545776 -0.653347
C -4.362478 3.132230 -0.366976
C -3.303665 3.576524 1.883645
C 0.425419 -1.291768 -1.210290
C 3.160118 -1.347820 -0.706055
C 0.869281 -1.466714 0.105667
C 1.324684 -1.137013 -2.283573
C 2.243469 -1.497022 0.346033
C 2.690239 -1.167026 -2.018921
C 4.632307 -1.383687 -0.426826
C 5.155338 -0.137539 0.265038
H -3.908691 0.434795 -0.785612
H -4.310100 -0.674887 0.555336
H -1.452648 0.473371 0.063798
H -2.363702 2.516480 0.233405
H -4.708117 1.284131 1.615907
H -1.678248 -2.459220 -0.082143
H -2.782386 -1.755950 -1.330453
H -4.418220 2.465181 -1.233489
H -4.051096 4.115560 -0.737655
H -5.376650 3.248187 0.028764
H -2.905876 4.548431 1.573440
H -4.282190 3.752713 2.342765
H -2.644651 3.182420 2.668632
H -2.163315 -0.243670 2.282865
H 0.163351 -1.566878 0.935523
H 0.940870 -1.004752 -3.292329
H 2.604883 -1.635766 1.366375
H 3.397473 -1.055246 -2.840585
H 5.221580 -1.544466 -1.356200
H 4.882724 -2.263216 0.212572
H 4.957742 1.936358 0.274312
H 3.891396 1.163095 -0.816863


%chk=000180559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180559

0 1
O -0.614853 -1.036477 -1.801431
O -1.494516 0.178367 1.186118
O 6.972590 -0.566149 0.176162
N -3.897918 1.223085 1.187163
N 5.086690 0.688237 -0.339113
C -3.654601 0.276231 0.072467
C -2.109802 0.157504 -0.139801
C -3.901930 2.682931 0.861800
C -1.765089 -1.141574 -0.888544
C -5.125455 3.116756 0.014576
C -3.821578 3.483596 2.177277
C 0.691400 -1.212914 -1.302619
C 3.407468 -1.601938 -0.536634
C 1.044979 -1.165109 0.067765
C 1.681366 -1.442098 -2.290532
C 2.396684 -1.366229 0.429902
C 3.022556 -1.630334 -1.905485
C 4.859297 -1.781947 -0.130919
C 5.734868 -0.504979 -0.086283
H -4.145276 0.561054 -0.882138
H -4.052105 -0.710888 0.377210
H -1.746228 1.014713 -0.747397
H -2.979958 2.874019 0.278325
H -4.709612 0.965995 1.763649
H -1.613825 -1.955867 -0.152930
H -2.593047 -1.410255 -1.569831
H -5.213284 2.522508 -0.913053
H -5.043580 4.180224 -0.275558
H -6.060787 2.994081 0.593885
H -3.789514 4.568793 1.974141
H -4.709131 3.287162 2.810137
H -2.920501 3.206793 2.751601
H -2.190513 0.675573 1.738225
H 0.294650 -0.928458 0.829307
H 1.378297 -1.479181 -3.341557
H 2.668416 -1.331501 1.492460
H 3.781770 -1.812731 -2.675943
H 5.383703 -2.475671 -0.813460
H 4.938122 -2.230363 0.877004
H 5.626963 1.552146 -0.312080
H 4.089585 0.712397 -0.551167


