%chk=000276858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276858

0 1
O 2.323159 -5.416338 0.271384
O -2.328038 -5.413914 -0.281275
O 3.426313 -3.641118 0.813147
O -3.429262 -3.637234 -0.822164
N 2.411531 -4.213746 0.454947
N -2.415223 -4.211083 -0.463817
C -1.207477 -1.993054 -0.230650
C 1.205451 -1.994412 0.225890
C -4.195374 1.886381 0.288646
C 4.196752 1.883169 -0.286185
C -4.143094 0.457751 0.113044
C 4.143343 0.454219 -0.113620
C -5.432675 2.553576 0.088055
C 5.434618 2.548927 -0.084323
C -0.000745 -1.316840 -0.001727
C 1.190848 -3.413535 0.227687
C -1.193952 -3.412177 -0.235087
C -2.437287 -1.232391 -0.470683
C 2.435880 -1.235166 0.467312
C -2.881492 -0.265090 0.344823
C 2.881120 -0.267131 -0.346747
C -0.001823 -4.110611 -0.004328
C -5.279701 -0.237126 -0.248013
C 5.279419 -0.242370 0.245792
C -3.046830 2.662617 0.646205
C 3.048790 2.661081 -0.641968
C -6.592771 1.800629 -0.280889
C 6.594149 1.794247 0.282856
C -5.501402 3.973802 0.257022
C 5.504469 3.969456 -0.250269
C -6.514572 0.441114 -0.444868
C 6.514870 0.434445 0.443923
C -3.139909 4.023240 0.801944
C 3.142952 4.021956 -0.794822
C -4.384206 4.689409 0.605861
C 4.387810 4.686700 -0.597455
H -0.000320 -0.223163 -0.000695
H -2.999859 -1.532255 -1.368503
H 2.997979 -1.536805 1.364816
H -2.337931 0.023348 1.250913
H 2.338063 0.023087 -1.252561
H -0.002259 -5.217956 -0.005310
H -5.252098 -1.321867 -0.378737
H 5.250920 -1.327364 0.374213
H -2.092923 2.158772 0.791592
H 2.094468 2.158306 -0.788321
H -7.534257 2.328912 -0.427991
H 7.536079 2.321451 0.430975
H -6.458237 4.471319 0.102260
H 6.461721 4.465870 -0.094553
H -7.391206 -0.142237 -0.726347
H 7.391069 -0.150220 0.724023
H -2.267654 4.614783 1.076776
H 2.271151 4.614789 -1.068305
H -4.428179 5.769556 0.737296
H 4.432635 5.767090 -0.726590


%chk=000276858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276858

0 1
O 2.302378 -5.869246 0.012457
O -2.307425 -5.867350 -0.025848
O 3.473181 -4.129759 0.889691
O -3.476963 -4.125271 -0.899520
N 2.395732 -4.630249 0.370250
N -2.399829 -4.627614 -0.381249
C -1.251856 -2.323082 -0.195097
C 1.249560 -2.324505 0.189056
C -3.824645 2.000514 0.311329
C 3.826207 1.997836 -0.308515
C -3.821365 0.605653 -0.119036
C 3.821462 0.602296 0.119636
C -5.028208 2.791799 0.120720
C 5.030294 2.787808 -0.115791
C -0.000895 -1.678059 -0.002294
C 1.204895 -3.766911 0.193975
C -1.208343 -3.765529 -0.203184
C -2.478615 -1.533162 -0.356842
C 2.476961 -1.535960 0.352586
C -2.622705 -0.224162 0.046308
C 2.622168 -0.226203 -0.047706
C -0.001998 -4.457271 -0.005353
C -4.997435 0.074371 -0.697562
C 4.996692 0.069101 0.698106
C -2.695995 2.649525 0.916290
C 2.698553 2.648728 -0.913316
C -6.185605 2.195757 -0.474787
C 6.186781 2.189845 0.479559
C -5.051884 4.166189 0.532051
C 5.055402 4.162835 -0.524904
C -6.167814 0.856372 -0.875146
C 6.167606 0.849828 0.877736
C -2.746942 3.990265 1.309020
C 2.750898 3.990047 -1.303879
C -3.934239 4.761200 1.116044
C 3.938680 4.759697 -1.108776
H -0.000451 -0.585858 -0.001045
H -3.315908 -2.061259 -0.813630
H 3.313806 -2.065795 0.808189
H -1.779165 0.247318 0.563085
H 1.779079 0.247081 -0.563569
H -0.002423 -5.549543 -0.006525
H -5.020525 -0.972409 -1.015422
H 5.018653 -0.978178 1.014398
H -1.766665 2.098909 1.087640
H 1.768925 2.099130 -1.086316
H -7.086748 2.805533 -0.608906
H 7.088329 2.798662 0.615303
H -5.971832 4.742484 0.378245
H 5.975707 4.738132 -0.369501
H -7.056079 0.401726 -1.325456
H 7.055175 0.393723 1.327943
H -1.868984 4.454417 1.771449
H 1.873679 4.455648 -1.766256
H -3.961197 5.810386 1.428412
H 3.966736 5.809357 -1.419448


