%chk=000295379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295379

0 1
O 4.029202 0.091121 -0.114173
O -3.367772 1.495146 0.365944
O 3.511048 2.160014 -0.845500
N -4.558160 -0.330895 1.145815
N -2.206204 -0.480304 0.799674
C -6.456277 -0.062629 -0.497672
C -5.856841 0.337585 0.856603
C -7.021680 -1.488324 -0.503995
C 6.151907 -0.903940 0.024358
C 7.664972 -0.787127 -0.196046
C 5.442126 0.379654 -0.389780
C -7.637069 -1.841233 -1.855806
C -0.885454 -0.036495 0.508433
C 8.389540 -2.066266 0.214623
C -3.381813 0.328840 0.713009
C 1.754653 0.681863 -0.072894
C -0.606711 1.245350 -0.003329
C 0.163139 -0.960217 0.734365
C 0.707366 1.596338 -0.290770
C 1.472509 -0.594370 0.441542
C 3.130439 1.100719 -0.394867
H -7.258450 0.657288 -0.760055
H -5.698197 0.052873 -1.298423
H -6.545892 0.082064 1.693012
H -5.704154 1.445039 0.890445
H -7.785777 -1.594046 0.291885
H -6.225396 -2.217134 -0.259351
H 5.740090 -1.760462 -0.546313
H 5.929278 -1.128741 1.086858
H 8.066214 0.070629 0.379974
H 7.876237 -0.563723 -1.260914
H 5.535967 0.613122 -1.463683
H 5.730487 1.260149 0.208797
H -4.598794 -1.348148 1.117880
H -6.901146 -1.778090 -2.666101
H -8.037182 -2.861695 -1.856057
H -8.462771 -1.167499 -2.113751
H 8.043699 -2.931108 -0.363424
H 9.470354 -1.976854 0.054905
H 8.233454 -2.297591 1.274756
H -2.281375 -1.414699 1.207709
H -1.417340 1.965571 -0.170158
H -0.041254 -1.950129 1.132962
H 0.937841 2.590317 -0.689590
H 2.293386 -1.298366 0.610400


%chk=000295379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295379

0 1
O 4.090746 -0.015607 -0.048117
O -3.466481 1.632255 0.189586
O 3.588057 2.154827 -0.740265
N -4.610928 -0.270481 0.917927
N -2.275384 -0.341187 0.733359
C -6.712413 -0.050764 -0.472894
C -5.938099 0.359510 0.801834
C -7.065741 -1.554276 -0.539895
C 6.319336 -0.979222 0.055308
C 7.837580 -0.784919 -0.171748
C 5.528782 0.279163 -0.304093
C -7.888056 -1.914214 -1.796452
C -0.941594 0.045260 0.461697
C 8.652756 -2.044605 0.191099
C -3.452158 0.427996 0.581331
C 1.790516 0.660979 -0.037283
C -0.579838 1.335931 -0.019308
C 0.076344 -0.926928 0.689102
C 0.773657 1.625365 -0.261905
C 1.424199 -0.624041 0.443376
C 3.199752 1.035894 -0.314802
H -7.647831 0.544201 -0.510279
H -6.116864 0.236702 -1.361100
H -6.530021 0.104967 1.703179
H -5.765138 1.449125 0.800726
H -7.635643 -1.838162 0.369496
H -6.133376 -2.156179 -0.532635
H 5.954634 -1.827254 -0.556155
H 6.129214 -1.239499 1.114663
H 8.194342 0.073626 0.432738
H 8.021225 -0.517712 -1.232270
H 5.647338 0.558287 -1.367947
H 5.825788 1.149268 0.311124
H -4.568905 -1.257559 1.173721
H -7.330852 -1.663067 -2.718224
H -8.129772 -2.992307 -1.829155
H -8.840644 -1.352355 -1.817854
H 8.335549 -2.911379 -0.418671
H 9.733375 -1.887889 0.020207
H 8.513575 -2.313765 1.254950
H -2.382673 -1.293096 1.090856
H -1.359987 2.078944 -0.190328
H -0.196593 -1.923901 1.059759
H 1.067929 2.613347 -0.631561
H 2.202496 -1.371683 0.618200


