%chk=000265917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265917

0 1
O -0.842795 1.127124 -1.925642
O -1.153732 1.581986 1.534112
O -1.586927 -1.665578 0.410061
O 3.380895 0.398704 -0.987292
O 2.099179 -2.311057 -0.815054
O -0.895791 3.383213 -2.104995
O -3.406161 1.809653 1.470389
O -1.824989 -2.599351 2.452638
O 4.243293 -0.638742 0.832400
N 0.644661 -0.897590 0.218704
C 1.004276 0.241031 -0.687329
C -0.194208 1.218293 -0.631419
C -1.188886 0.672624 0.411083
C -0.628634 -0.679811 0.916760
C 2.291608 0.939946 -0.201974
C 1.291241 -2.155977 0.083156
C 0.975200 -3.206773 1.097939
C -1.160235 2.309739 -2.585623
C -2.362094 2.115222 1.986212
C -2.159789 -2.565653 1.293038
C 4.232935 -0.509710 -0.368219
C -1.818397 1.962617 -3.869832
C -2.066167 3.029137 3.116153
C -3.157847 -3.384030 0.560312
C 5.045264 -1.182269 -1.411814
H 1.167632 -0.142117 -1.735376
H 0.085508 2.277751 -0.419185
H -2.225896 0.571109 0.004017
H -0.541162 -0.767372 2.025924
H 2.310551 2.015478 -0.455675
H 2.483373 0.798946 0.880481
H 1.899023 -3.748718 1.367920
H 0.543087 -2.833058 2.039078
H 0.281594 -3.954029 0.685836
H -2.845774 2.362147 -3.903410
H -1.271945 2.400600 -4.721546
H -1.878468 0.873018 -4.034280
H -0.996604 3.038858 3.387979
H -2.637955 2.741943 4.014518
H -2.353022 4.065041 2.866328
H -3.076032 -3.270171 -0.534324
H -3.052139 -4.453132 0.804102
H -4.183796 -3.088117 0.840567
H 5.199017 -0.553722 -2.301562
H 6.023473 -1.497522 -1.023301
H 4.504736 -2.089779 -1.752553


%chk=000265917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265917

0 1
O -0.971326 0.765452 -2.212259
O -0.475056 1.705160 1.346853
O -1.718168 -1.479788 -0.090644
O 3.523737 0.597927 -0.610149
O 2.343416 -2.154969 -0.938341
O -2.317534 2.660514 -2.025181
O -2.525929 1.549231 2.454429
O -2.272815 -2.383607 2.000815
O 3.647975 -0.352408 1.522008
N 0.626445 -0.828505 -0.125832
C 1.055077 0.359442 -0.933065
C -0.229252 1.207695 -1.004610
C -1.016592 0.840400 0.272351
C -0.647210 -0.631714 0.550411
C 2.203713 1.179089 -0.289048
C 1.328241 -2.039104 -0.189388
C 0.813676 -3.198460 0.649576
C -2.020091 1.607989 -2.630600
C -1.365844 2.001243 2.411953
C -2.488247 -2.290521 0.774198
C 4.117223 -0.219937 0.370189
C -2.675686 1.046363 -3.868940
C -0.692468 2.913021 3.407347
C -3.578687 -2.986850 -0.006187
C 5.337173 -0.898668 -0.195988
H 1.376240 0.024504 -1.934835
H -0.062081 2.296217 -1.056368
H -2.105511 0.979790 0.194929
H -0.634166 -0.882569 1.624829
H 2.232953 2.184619 -0.741669
H 2.077692 1.252797 0.804416
H 1.668933 -3.851450 0.879881
H 0.326227 -2.889515 1.587949
H 0.084418 -3.786499 0.062477
H -3.064009 0.033842 -3.663316
H -3.495626 1.705424 -4.187352
H -1.935018 0.951666 -4.681763
H 0.285578 2.500386 3.706621
H -1.336525 3.037631 4.289216
H -0.507913 3.899563 2.946456
H -3.200163 -3.340535 -0.978645
H -3.977532 -3.825692 0.582648
H -4.398745 -2.273055 -0.205179
H 5.884160 -0.230384 -0.879595
H 5.991522 -1.245951 0.617076
H 4.984896 -1.769880 -0.778369


