%chk=000265912.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265912

0 1
O 2.355912 -1.663332 -0.111583
O -2.905958 -2.319039 -0.765901
O -2.349942 -2.669408 3.077044
O -1.638439 1.839513 3.065753
O 4.050971 -1.465599 1.364337
O -1.285766 -1.584625 -2.161548
O 4.707051 3.727631 -2.315872
O -3.364842 3.835209 0.383459
N -0.493939 -3.137949 0.914080
N -1.963214 -0.451756 3.082182
N -0.458733 0.578010 1.539731
C 0.595407 -3.221727 -0.108282
C -1.680455 -3.960552 0.538284
C -0.805256 -1.816928 1.390024
C 1.951598 -2.919112 0.531459
C -2.343470 -3.661327 -0.812556
C -1.737900 -1.766929 2.546347
C -0.218120 -0.669684 0.939269
C -1.374662 0.742207 2.604123
C 3.465545 -1.013843 0.406978
C -2.211732 -1.317881 -1.420326
C 3.738664 0.213659 -0.356266
C -2.701702 0.007104 -1.022421
C 3.083954 0.491428 -1.566193
C -3.554821 0.162123 0.084160
C 4.701742 1.113618 0.152729
C -2.209536 1.142399 -1.702888
C 3.365985 1.660318 -2.271733
C -3.827909 1.429532 0.588481
C 4.995900 2.281187 -0.531303
C -2.483173 2.413589 -1.226892
C 4.321309 2.545312 -1.746815
C -3.254648 2.545340 -0.046893
C 4.102155 4.114914 -3.576428
C -3.828698 4.051278 1.746220
H 0.429403 -2.549195 -0.991469
H 0.608103 -4.258093 -0.515834
H -1.352005 -5.026829 0.554456
H -2.442319 -3.879715 1.357086
H 2.722590 -3.668685 0.289310
H 1.915887 -2.766490 1.626484
H -3.236665 -4.292422 -0.976174
H -1.656483 -3.752159 -1.673963
H 0.488889 -0.654146 0.090432
H -2.593947 -0.370897 3.893377
H -0.001918 1.413392 1.166603
H 2.348457 -0.220235 -1.957056
H -3.980106 -0.726659 0.563444
H 5.211266 0.874929 1.092639
H -1.591873 1.002627 -2.595124
H 2.856816 1.864481 -3.207888
H -4.466449 1.546340 1.459726
H 5.731739 2.993784 -0.162297
H -2.110650 3.307633 -1.722115
H 4.337602 3.380374 -4.351966
H 3.024457 4.253753 -3.453252
H 4.602402 5.072533 -3.776593
H -4.885740 3.789543 1.828693
H -3.200448 3.484247 2.450236
H -3.674189 5.131106 1.864484


%chk=000265912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265912

0 1
O 2.619080 -1.601725 -0.273175
O -3.113876 -2.216914 -0.435117
O -2.047102 -2.696897 3.270482
O -1.094290 1.859222 3.618243
O 4.652709 -2.035346 0.782454
O -1.631138 -1.201195 -1.935051
O 6.027443 3.370158 -2.504221
O -5.022033 3.878137 0.184021
N -0.424965 -2.959505 0.829375
N -1.573792 -0.430046 3.341181
N -0.130481 0.632343 1.858846
C 0.642808 -3.037599 -0.194299
C -1.577753 -3.863295 0.610484
C -0.623058 -1.732496 1.507748
C 2.056411 -2.818100 0.384401
C -2.433286 -3.522853 -0.629670
C -1.455186 -1.708630 2.737042
C 0.004089 -0.552786 1.129648
C -0.944311 0.777172 2.984582
C 3.966319 -1.315414 0.014253
C -2.585596 -1.108239 -1.116847
C 4.439755 -0.093066 -0.680545
C -3.274479 0.150143 -0.748454
C 3.630323 0.630991 -1.592099
C -4.232744 0.212783 0.294741
C 5.762332 0.361417 -0.414162
C -2.936182 1.339300 -1.454392
C 4.118863 1.791138 -2.225566
C -4.839870 1.435258 0.641449
C 6.259015 1.514211 -1.035924
C -3.538990 2.559715 -1.124207
C 5.437703 2.236213 -1.943518
C -4.491131 2.613959 -0.069958
C 5.232379 4.165937 -3.447182
C -5.977437 4.015119 1.290955
H 0.476649 -2.326033 -1.032913
H 0.580600 -4.051216 -0.627588
H -1.197129 -4.896232 0.482961
H -2.203583 -3.849488 1.516222
H 2.734424 -3.662795 0.175380
H 2.031250 -2.658599 1.475975
H -3.247204 -4.260155 -0.738118
H -1.835829 -3.476029 -1.557128
H 0.654336 -0.492885 0.256711
H -2.153282 -0.395208 4.185587
H 0.363876 1.474340 1.560963
H 2.619735 0.273752 -1.811191
H -4.491794 -0.702465 0.834575
H 6.380275 -0.208221 0.287348
H -2.197430 1.278740 -2.260105
H 3.478744 2.330649 -2.929380
H -5.567372 1.462796 1.457421
H 7.271184 1.880127 -0.841272
H -3.295494 3.484246 -1.655685
H 4.955559 3.571208 -4.338520
H 4.319969 4.564472 -2.963904
H 5.889258 4.996190 -3.743368
H -6.886000 3.409199 1.111749
H -5.514432 3.725883 2.253183
H -6.239740 5.082511 1.309576


