%chk=000269878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269878

0 1
O 0.202109 -0.553570 1.008218
O 1.051108 2.921099 1.666444
O 3.479963 1.037854 0.613298
O 0.277780 1.463606 -1.493667
O 2.199497 -2.227202 -0.902826
O 2.152265 4.647326 0.699326
O 4.301133 -0.303898 2.234351
O -0.814234 3.363913 -2.068085
O 4.419521 -1.793155 -1.009966
O -6.337228 -4.275279 -0.277708
O -6.143071 -3.845658 1.832018
N -1.557387 -0.156466 -0.506639
N -5.802126 -3.709618 0.665654
C 1.368019 2.054206 0.542048
C 2.136320 0.867181 1.138214
C 0.005178 1.714199 -0.085983
C 1.594256 -0.506274 0.679959
C -0.683886 0.459011 0.502504
C 1.888052 -0.811201 -0.792821
C -2.552513 -1.087696 -0.168578
C 1.521852 4.235478 1.637958
C 4.517871 0.346465 1.242512
C -0.177727 2.409379 -2.424175
C -2.969586 -1.297031 1.169435
C -3.205629 -1.772716 -1.229307
C 1.096603 4.904057 2.891987
C 5.761747 0.568996 0.472599
C 3.524202 -2.606513 -0.980478
C 0.267397 1.977235 -3.770504
C -4.028242 -2.150260 1.436580
C -4.263427 -2.622630 -0.952755
C -4.683189 -2.812383 0.379157
C 3.593849 -4.089440 -1.028765
H 2.013815 2.603819 -0.198586
H 2.167967 0.924398 2.254463
H -0.687334 2.595976 0.003242
H 1.991188 -1.329396 1.334424
H -1.268527 0.730006 1.425578
H 1.000606 -0.699633 -1.440460
H 2.729506 -0.203379 -1.187080
H -1.154183 -0.226097 -1.445820
H -2.448049 -0.809161 1.992059
H -2.883502 -1.628530 -2.257908
H 0.449778 5.770957 2.674363
H 1.970072 5.285638 3.447676
H 0.539992 4.232477 3.567244
H 5.860256 -0.222302 -0.304105
H 5.771193 1.533284 -0.058938
H 6.651570 0.511540 1.116880
H -0.593050 1.847104 -4.448761
H 0.917335 2.745331 -4.228238
H 0.836977 1.033965 -3.757780
H -4.364208 -2.322528 2.466475
H -4.782638 -3.155247 -1.758681
H 2.596371 -4.560234 -1.057078
H 4.155211 -4.430858 -1.913202
H 4.118079 -4.483650 -0.141373


%chk=000269878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269878

0 1
O 0.306075 -1.024943 -0.016647
O 1.194001 2.907785 1.229182
O 3.361065 0.879031 1.154676
O -0.063461 1.473280 -1.784243
O 2.855393 -2.047274 -1.607903
O 2.328889 4.296832 -0.275097
O 3.403740 -0.566227 2.987098
O -0.753313 3.710321 -1.756548
O 4.752976 -1.910796 -0.258279
O -6.946052 -3.943286 0.551530
O -5.720773 -4.392213 2.426998
N -1.866692 -0.213547 -0.533206
N -5.894524 -3.787829 1.293839
C 1.308374 1.788289 0.266584
C 1.919329 0.593676 0.998614
C -0.104630 1.472089 -0.294144
C 1.742470 -0.715779 0.184421
C -0.658653 0.109217 0.165384
C 2.480246 -0.674702 -1.170858
C -2.826578 -1.119837 -0.072892
C 1.752641 4.146745 0.820179
C 4.024216 0.158583 2.182162
C -0.376490 2.717705 -2.406883
C -2.669189 -1.832784 1.153712
C -4.008691 -1.325023 -0.847255
C 1.509792 5.195343 1.876284
C 5.509835 0.377660 2.095269
C 4.034879 -2.561560 -1.054144
C -0.155617 2.628425 -3.895459
C -3.676208 -2.698253 1.603521
C -5.011065 -2.197909 -0.406495
C -4.844136 -2.875661 0.825216
C 4.278342 -3.974684 -1.528194
H 1.968393 2.112058 -0.559685
H 1.469216 0.458907 1.999555
H -0.796660 2.270623 0.031126
H 2.141573 -1.547218 0.790299
H -0.873223 0.195080 1.250923
H 1.818879 -0.305910 -1.968455
H 3.399682 -0.068209 -1.090901
H -1.891356 0.058174 -1.518448
H -1.742314 -1.745400 1.726099
H -4.136247 -0.782490 -1.791221
H 0.474986 5.572467 1.781511
H 2.203271 6.036302 1.730935
H 1.621467 4.769888 2.885880
H 5.903498 -0.326116 1.338359
H 5.743852 1.402216 1.766576
H 5.981237 0.161721 3.065274
H -0.839483 3.316159 -4.415619
H 0.879779 2.944427 -4.121224
H -0.285475 1.598761 -4.261806
H -3.570358 -3.256770 2.537269
H -5.922569 -2.362383 -0.986875
H 3.883237 -4.124106 -2.544542
H 5.355048 -4.198974 -1.492144
H 3.756274 -4.679386 -0.854908


