%chk=000217410.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217410

0 1
O 3.218325 1.140776 -1.594631
N -2.942779 1.039818 0.229015
C -1.106002 -0.595226 -0.135315
C -1.673890 -0.164080 -1.520960
C -2.236168 -0.127663 0.841834
C -0.946184 -2.147997 -0.061966
C -2.837349 0.814332 -1.251346
C 0.225258 0.081047 0.173232
C 0.062175 -2.678212 -1.087593
C -0.555058 -2.622744 1.342601
C -2.330999 2.338242 0.639200
C 1.150640 0.332976 -0.846400
C 0.565927 0.436565 1.494912
C 2.377208 0.932473 -0.525056
C 1.792168 1.031237 1.790182
C 2.725542 1.292620 0.782590
H -2.035382 -1.039093 -2.087185
H -0.904706 0.305785 -2.156729
H -2.998004 -0.929031 0.958740
H -1.862792 0.101713 1.856924
H -1.948632 -2.586536 -0.306617
H -2.715876 1.759309 -1.810701
H -3.805658 0.374312 -1.572013
H 1.081356 -2.334365 -0.869845
H 0.084702 -3.773499 -1.085540
H -0.178576 -2.358097 -2.105985
H 0.425127 -2.232891 1.643919
H -0.490632 -3.716156 1.381405
H -1.281140 -2.314225 2.100361
H -2.880127 3.160531 0.154856
H -1.261664 2.441575 0.398821
H -2.455166 2.462366 1.726267
H 0.942404 0.077512 -1.884714
H -0.144084 0.247279 2.300725
H 2.029741 1.297290 2.820638
H 3.677708 1.754720 1.010224
H 4.067988 1.563634 -1.322250


%chk=000217410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217410

0 1
O 3.375954 1.223716 -1.598633
N -3.069364 0.994804 0.227577
C -1.046837 -0.456657 -0.087991
C -1.611454 0.057445 -1.469193
C -2.195295 0.013760 0.921362
C -0.983243 -2.044954 -0.082915
C -3.081033 0.481661 -1.170139
C 0.340171 0.130895 0.245551
C 0.023945 -2.638806 -1.097044
C -0.694682 -2.643412 1.316733
C -2.596976 2.398342 0.336103
C 1.258825 0.444279 -0.788314
C 0.774355 0.312758 1.590468
C 2.546556 0.941942 -0.493970
C 2.062321 0.811285 1.879170
C 2.963934 1.137979 0.842593
H -1.558968 -0.708529 -2.261697
H -1.045100 0.938203 -1.817675
H -2.818007 -0.864798 1.179827
H -1.814048 0.447932 1.858828
H -2.003441 -2.369645 -0.386389
H -3.467133 1.244178 -1.868089
H -3.755658 -0.396212 -1.215141
H 1.061394 -2.369599 -0.829214
H -0.049122 -3.742641 -1.097224
H -0.158808 -2.292969 -2.130331
H 0.332559 -2.400856 1.643391
H -0.785070 -3.745163 1.281934
H -1.395304 -2.275967 2.087946
H -3.290379 3.054140 -0.220104
H -1.564241 2.574537 -0.048373
H -2.620258 2.705679 1.396472
H 1.000566 0.302458 -1.841611
H 0.109130 0.064343 2.422629
H 2.369218 0.948867 2.922068
H 3.963483 1.530039 1.070958
H 4.257413 1.557264 -1.297968


