%chk=000201776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201776

0 1
O 0.028757 0.909458 0.726268
O 1.683301 -1.056641 0.272392
O -3.443314 1.504343 -0.652776
O -0.479357 1.201397 -1.461816
N 3.590193 0.184935 0.233555
C 4.292329 1.489037 0.312196
C 4.430643 -1.035328 0.070904
C 2.205776 0.046477 0.323776
C 1.384599 1.327084 0.490466
C 4.517758 1.925905 1.759558
C 4.853224 -1.233687 -1.382959
C -1.912670 -0.127354 0.016856
C -0.785157 0.724671 -0.398679
C -3.266066 0.242108 -0.151171
C -1.613723 -1.379012 0.581892
C -4.302749 -0.636072 0.206641
C -2.639644 -2.253453 0.940923
C -3.975129 -1.879799 0.747889
C -4.795386 1.954147 -0.920659
H 5.270935 1.403278 -0.215059
H 3.717286 2.262792 -0.244608
H 5.317923 -0.954846 0.734755
H 3.837779 -1.919373 0.416385
H 1.643580 1.885741 1.408717
H 1.442336 1.982523 -0.401689
H 3.575577 2.048852 2.307283
H 5.111270 1.189368 2.316226
H 5.053073 2.881386 1.804374
H 5.443065 -2.150462 -1.496747
H 5.454085 -0.400749 -1.761802
H 3.976962 -1.327470 -2.040405
H -0.556681 -1.652128 0.727430
H -5.342633 -0.360869 0.070231
H -2.399618 -3.223532 1.369993
H -4.774027 -2.568917 1.027036
H -4.612617 2.956960 -1.331561
H -5.270810 1.308264 -1.664287
H -5.368169 2.007266 0.009173


%chk=000201776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201776

0 1
O 0.084126 0.705698 1.027568
O 1.824685 -1.168482 0.145065
O -3.426283 1.424418 -0.901954
O -0.543251 1.267992 -1.154142
N 3.684724 0.230032 0.234661
C 4.308454 1.555118 0.449649
C 4.574532 -0.894383 -0.150672
C 2.325950 -0.020823 0.350437
C 1.435220 1.185118 0.739883
C 4.861285 1.745518 1.880726
C 4.743640 -1.012910 -1.680128
C -2.006000 -0.125976 0.260114
C -0.805070 0.684264 -0.080667
C -3.311322 0.219781 -0.208361
C -1.833422 -1.311660 1.017071
C -4.409608 -0.629626 0.079858
C -2.925592 -2.158103 1.299429
C -4.210564 -1.811745 0.826255
C -4.748937 1.809537 -1.401013
H 5.130322 1.662872 -0.283593
H 3.581458 2.351509 0.213910
H 5.553289 -0.740608 0.341900
H 4.128453 -1.822184 0.245465
H 1.782729 1.671925 1.665359
H 1.398656 1.919797 -0.088096
H 4.053667 1.693087 2.632407
H 5.601846 0.963368 2.125609
H 5.357831 2.728784 1.974714
H 5.429373 -1.844301 -1.926622
H 5.159726 -0.086095 -2.116669
H 3.768465 -1.216096 -2.153630
H -0.821550 -1.561209 1.349151
H -5.414800 -0.375479 -0.268016
H -2.774119 -3.077994 1.872541
H -5.067697 -2.461552 1.036764
H -4.586697 2.768379 -1.913873
H -5.140609 1.063485 -2.119018
H -5.470207 1.944845 -0.571381


