%chk=000179400.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179400

0 1
O -3.009539 2.457275 -1.115821
O -3.576143 -2.267023 1.604930
O 3.865435 -1.521233 -0.688056
O 4.508319 0.323402 0.661627
N -1.554581 1.757194 0.631224
C -1.000088 -0.241320 -0.550129
C -1.813206 0.269696 0.700087
C -1.346663 0.816939 -1.639825
C -1.650369 2.102918 -0.836249
C 0.476557 -0.085592 -0.196144
C -3.303676 -0.055884 0.600342
C -0.162450 1.995262 1.132514
C -1.410083 -1.622963 -0.965408
C 0.862195 1.011052 0.597749
C -3.549310 -1.551432 0.358044
C -2.542993 -2.200536 -0.560839
C 1.435688 -1.004629 -0.686959
C 2.216153 1.237695 0.950183
C 2.746684 -0.774816 -0.340145
C 3.133521 0.332939 0.469636
C 5.008873 -0.849829 -0.062644
H -1.409341 -0.154895 1.647868
H -2.236071 0.515789 -2.226254
H -0.528206 0.958932 -2.359802
H -1.021552 2.974834 -1.112406
H -3.774266 0.532190 -0.219887
H -3.822805 0.262766 1.526437
H -0.196304 1.934365 2.246663
H 0.137276 3.040333 0.895110
H -0.724394 -2.132300 -1.646052
H -4.590630 -1.717181 -0.015007
H -2.811803 -3.213266 -0.865260
H 1.150637 -1.852282 -1.307087
H 2.512483 2.081757 1.566854
H -3.421794 2.893177 -0.335896
H -2.697895 -2.257775 2.032503
H 5.670217 -0.494033 -0.863469
H 5.443826 -1.539125 0.672967


%chk=000179400-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179400

0 1
O -2.994508 2.607340 -1.183666
O -3.468022 -2.272674 1.771176
O 3.913869 -1.515205 -0.719834
O 4.553201 0.335373 0.678406
N -1.583240 1.759779 0.612437
C -1.043083 -0.243993 -0.567697
C -1.869523 0.283349 0.653442
C -1.385141 0.838623 -1.665461
C -1.653055 2.130543 -0.834708
C 0.455127 -0.093634 -0.201940
C -3.361198 -0.069644 0.549566
C -0.216247 1.984153 1.168181
C -1.459735 -1.643123 -0.975046
C 0.840619 1.008694 0.621302
C -3.563745 -1.595754 0.441691
C -2.599548 -2.242623 -0.534628
C 1.446511 -0.990711 -0.698807
C 2.204621 1.221029 0.970291
C 2.774906 -0.756429 -0.345661
C 3.150211 0.325841 0.473373
C 5.069921 -0.849853 -0.060329
H -1.467563 -0.123597 1.601429
H -2.297312 0.570987 -2.224949
H -0.557359 0.968500 -2.381067
H -0.911965 2.931591 -1.029550
H -3.805149 0.423637 -0.333618
H -3.896450 0.303174 1.440700
H -0.274698 1.888609 2.270049
H 0.083902 3.028390 0.958229
H -0.824182 -2.185654 -1.687336
H -4.606544 -1.806012 0.147459
H -2.844688 -3.260844 -0.862317
H 1.190235 -1.844711 -1.328632
H 2.501929 2.061370 1.605512
H -3.283611 3.212912 -0.452640
H -2.507709 -2.366993 2.000398
H 5.777900 -0.508920 -0.834959
H 5.525026 -1.551119 0.660604


