%chk=000203197.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203197

0 1
O 5.898079 -0.186601 1.251183
O 1.127503 -0.549571 -2.708092
O -2.788608 0.782554 2.408062
O -5.188735 -1.113873 -0.401264
O -5.161212 -0.232453 1.674953
N 3.749630 0.427579 -0.522825
N 0.938401 0.448812 -0.629807
C 4.114618 -0.996635 -0.216461
C 4.970688 1.298169 -0.461185
C 4.744855 -1.049094 1.183979
C 5.576490 1.184273 0.947999
C 3.097803 0.525915 -1.863242
C 1.639382 0.063518 -1.795186
C -0.427645 0.188080 -0.341794
C -0.911962 0.618132 0.908672
C -1.285511 -0.461253 -1.255543
C -2.261144 0.388398 1.218525
C -3.140496 -0.259095 0.320912
C -2.614113 -0.674562 -0.920039
C -4.546933 -0.491059 0.667477
C -6.594599 -1.414824 -0.210856
H 4.816292 -1.432725 -0.960805
H 3.189538 -1.612606 -0.240129
H 4.668627 2.348879 -0.657290
H 5.735257 1.024399 -1.220538
H 4.027805 -0.756403 1.970768
H 5.176807 -2.040906 1.408998
H 6.560867 1.680949 1.018113
H 4.893282 1.575906 1.721980
H 3.103008 1.584920 -2.213993
H 3.605562 -0.062021 -2.664322
H 1.487422 0.906456 0.115185
H -0.266642 1.116885 1.621723
H -0.903362 -0.796932 -2.226095
H -3.283239 -1.178681 -1.629226
H -2.123026 1.230777 2.993922
H -6.710640 -2.107632 0.628623
H -6.872411 -1.873817 -1.164610
H -7.147235 -0.488556 -0.023569


%chk=000203197-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203197

0 1
O 5.621654 0.120447 1.545389
O 1.150886 -0.436269 -3.147031
O -2.379459 0.387433 2.569472
O -5.220034 -0.913213 -0.380499
O -4.956349 -0.311116 1.852885
N 3.712189 0.379466 -0.625650
N 1.063954 0.149735 -0.851600
C 4.166555 -0.961707 -0.149044
C 4.777708 1.399966 -0.408433
C 4.566983 -0.883135 1.332789
C 5.159543 1.437862 1.080637
C 3.191031 0.336035 -2.013461
C 1.692217 -0.043931 -2.073610
C -0.294327 -0.025128 -0.506394
C -0.673990 0.252502 0.830760
C -1.277801 -0.459781 -1.437978
C -2.015709 0.106726 1.250806
C -3.018250 -0.328371 0.329506
C -2.604449 -0.600454 -1.004764
C -4.441033 -0.494700 0.725364
C -6.655475 -1.104865 -0.088551
H 5.036333 -1.317827 -0.749468
H 3.341924 -1.687806 -0.277673
H 4.395037 2.390026 -0.719506
H 5.686122 1.170578 -1.013471
H 3.677114 -0.630654 1.950953
H 4.992696 -1.838857 1.678490
H 6.002254 2.125974 1.255983
H 4.282734 1.762675 1.682843
H 3.285754 1.339876 -2.470145
H 3.739593 -0.370684 -2.671945
H 1.749915 0.456999 -0.134441
H 0.083277 0.591077 1.551887
H -0.987824 -0.674315 -2.467439
H -3.369995 -0.932188 -1.710025
H -1.589695 0.683734 3.090293
H -6.792379 -1.874373 0.690429
H -7.096206 -1.425571 -1.043501
H -7.108095 -0.160865 0.260346


