%chk=000274593.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274593

0 1
O -7.454124 -0.080574 0.554264
O -7.348297 -0.031287 -1.676697
N 1.002630 -1.193533 -0.651898
N -0.288678 -0.827407 -0.696937
C 3.435354 1.302357 0.444832
C 4.273628 0.178961 -0.012690
C 2.059605 0.953054 0.240715
C 3.412729 -0.859092 -0.497391
C 1.993826 -0.420239 -0.340279
C 3.778393 2.530530 0.981206
C 5.647542 0.018359 -0.038716
C 1.050488 1.841663 0.561397
C 3.931073 -2.036615 -1.003355
C 2.742862 3.427913 1.314929
C 6.171754 -1.185532 -0.553780
C 1.407997 3.092632 1.107137
C 5.332877 -2.190942 -1.026961
C -2.588860 -0.917538 -0.027211
C -1.152638 -1.186909 0.208708
C -3.441947 -0.806370 1.086359
C -3.108624 -0.783184 -1.325404
C -5.317197 -0.426720 -0.397080
C -4.801498 -0.560146 0.901869
C -4.469087 -0.538539 -1.510962
C -6.752008 -0.167895 -0.632386
H 4.817931 2.806033 1.141563
H 6.313764 0.796606 0.325374
H 0.002122 1.599509 0.392402
H 3.275347 -2.823806 -1.375947
H 2.999597 4.398982 1.738345
H 7.252517 -1.323429 -0.579998
H 0.622083 3.802133 1.363919
H 5.757473 -3.112625 -1.423525
H -0.914031 -1.682380 1.162912
H -3.044839 -0.909237 2.095606
H -2.442450 -0.867189 -2.188542
H -5.472855 -0.470394 1.761022
H -4.882275 -0.432572 -2.518909
H -8.422282 0.093122 0.402910


%chk=000274593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274593

0 1
O -7.629675 -0.563296 0.459229
O -7.208240 0.854667 -1.331681
N 1.029159 -1.296291 -0.482673
N -0.252341 -0.827295 -0.545388
C 3.447215 1.352893 0.270204
C 4.303462 0.181593 -0.025217
C 2.073236 0.957226 0.144786
C 3.453169 -0.925088 -0.338675
C 2.041863 -0.476601 -0.246234
C 3.775226 2.675965 0.614785
C 5.702228 0.027620 -0.043795
C 1.031362 1.880646 0.361924
C 3.985807 -2.183319 -0.670413
C 2.725175 3.605673 0.830604
C 6.242116 -1.240385 -0.379019
C 1.369934 3.215074 0.702073
C 5.394688 -2.333830 -0.690324
C -2.604702 -0.992065 0.024319
C -1.198237 -1.366528 0.200445
C -3.584691 -1.552361 0.892659
C -3.020233 -0.083873 -0.994929
C -5.348519 -0.319582 -0.267565
C -4.944279 -1.221285 0.750858
C -4.375666 0.244792 -1.139628
C -6.770123 0.063721 -0.460363
H 4.819238 2.992472 0.713715
H 6.368438 0.864490 0.192926
H -0.015191 1.578194 0.269077
H 3.321890 -3.020446 -0.907235
H 2.964976 4.639979 1.101433
H 7.328979 -1.378114 -0.398298
H 0.575714 3.949842 0.872198
H 5.835516 -3.303177 -0.947119
H -0.951355 -2.104023 0.983780
H -3.272252 -2.250267 1.678684
H -2.261755 0.340694 -1.659919
H -5.699357 -1.649543 1.415336
H -4.711927 0.936129 -1.919220
H -8.560946 -0.266601 0.275459


