%chk=000272866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272866

0 1
O 2.400618 -0.891137 2.006569
O 3.492130 1.406496 -1.865742
O -1.680569 -1.136832 0.918775
O -4.559761 1.923076 -1.033951
N 2.620834 0.427704 0.082502
N -2.866678 0.649507 -0.042601
C 1.355865 1.209931 0.244965
C -1.800000 1.705327 -0.026981
C 1.708395 2.663845 0.625260
C -1.295815 1.869136 1.416434
C 0.494130 3.596376 0.666401
C -0.590101 3.204431 1.676853
C 0.521365 1.134735 -1.007191
C -0.794814 1.338055 -1.094237
C 3.021844 -0.594647 1.021414
C 3.582470 0.604155 -0.972594
C -2.683832 -0.705436 0.417403
C -4.181696 0.871941 -0.585599
C 4.325373 -1.121286 0.490784
C 4.661274 -0.406457 -0.691750
C -3.999484 -1.384103 0.144000
C -4.889639 -0.446049 -0.448496
C 5.141477 -2.117621 0.980581
C 5.816183 -0.683336 -1.390289
C -4.388687 -2.683267 0.386429
C -6.173202 -0.802155 -0.801015
C 6.328789 -2.404992 0.265419
C 6.657851 -1.705606 -0.889949
C -5.706435 -3.053278 0.024898
C -6.576286 -2.136372 -0.553665
H 0.795338 0.714801 1.103000
H -2.300009 2.668778 -0.346697
H 2.441614 3.067131 -0.105880
H 2.220127 2.664835 1.607263
H -0.629324 1.012743 1.682510
H -2.151801 1.783482 2.118012
H 0.053817 3.679657 -0.348048
H 0.849966 4.619240 0.910855
H -0.148027 3.170940 2.694035
H -1.348080 4.014538 1.706999
H 1.089663 0.912914 -1.919355
H -1.270865 1.250131 -2.080123
H 4.885826 -2.668616 1.886480
H 6.076940 -0.137118 -2.297544
H -3.708803 -3.405206 0.840784
H -6.858300 -0.085312 -1.255097
H 6.989870 -3.190297 0.635090
H 7.577603 -1.941406 -1.427380
H -6.035235 -4.077480 0.207568
H -7.588321 -2.440293 -0.825301


%chk=000272866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272866

0 1
O 2.476878 -0.934466 2.035827
O 3.558860 1.426844 -1.900235
O -1.681106 -1.270062 0.738658
O -4.649135 1.996372 -0.921745
N 2.686985 0.401165 0.073666
N -2.903463 0.606106 -0.090904
C 1.419874 1.155698 0.244331
C -1.827308 1.640021 -0.059233
C 1.741485 2.629122 0.664058
C -1.383660 1.895695 1.406699
C 0.528342 3.584912 0.665345
C -0.631613 3.235565 1.632403
C 0.556387 1.051490 -1.005083
C -0.780462 1.261013 -1.107353
C 3.110977 -0.598144 1.006462
C 3.646126 0.593268 -0.961701
C -2.739735 -0.756584 0.301365
C -4.235428 0.877448 -0.525832
C 4.425040 -1.102626 0.494643
C 4.746720 -0.387523 -0.683169
C -4.079774 -1.398370 0.089653
C -4.975779 -0.419617 -0.403408
C 5.275035 -2.094926 1.005103
C 5.930087 -0.639978 -1.392573
C -4.489741 -2.720721 0.313580
C -6.313429 -0.730296 -0.691383
C 6.474715 -2.360027 0.294140
C 6.797328 -1.643325 -0.886413
C -5.841094 -3.046315 0.025493
C -6.738880 -2.066224 -0.469383
H 0.924173 0.640180 1.082691
H -2.340546 2.556093 -0.424881
H 2.498724 3.027551 -0.036595
H 2.204292 2.597674 1.670601
H -0.811653 1.033482 1.783481
H -2.307028 1.930416 2.018069
H 0.138727 3.671225 -0.366396
H 0.900061 4.593510 0.935530
H -0.250046 3.237042 2.673613
H -1.370621 4.060543 1.572756
H 1.097230 0.824155 -1.931685
H -1.221892 1.155618 -2.110334
H 5.014773 -2.640815 1.917329
H 6.168556 -0.079918 -2.302225
H -3.787117 -3.467257 0.696894
H -6.997449 0.034527 -1.072265
H 7.163317 -3.128870 0.660714
H 7.730452 -1.869266 -1.413587
H -6.198589 -4.068899 0.187296
H -7.776000 -2.346906 -0.682215


