%chk=000228923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228923

0 1
O -3.078975 1.279064 -0.131903
O -3.116682 -0.994896 0.334976
O -5.971290 -1.212225 -1.350983
O -5.935769 0.905245 -1.786018
N -5.746345 -0.052947 -1.062344
C -5.255310 0.235146 0.380517
C -2.356458 0.214452 0.513989
C -1.093925 0.023358 -0.315493
C -4.390565 1.516731 0.389797
C -4.431755 -0.965986 0.899481
C 0.176625 0.166378 0.525175
C 1.431757 -0.030100 -0.336256
C 2.710888 0.109638 0.499806
C -6.520489 0.427413 1.214696
C 3.965513 -0.085581 -0.362225
C 5.245901 0.051742 0.472591
C 6.499343 -0.141338 -0.390988
C 7.781426 -0.006630 0.443656
C 9.010751 -0.188655 -0.397347
C 10.098037 0.572694 -0.290714
H -2.234695 0.433266 1.589435
H -1.100227 0.756286 -1.154096
H -1.134561 -0.975065 -0.807427
H -4.311475 1.929612 1.410719
H -4.782811 2.291713 -0.305807
H -4.853012 -1.939390 0.562774
H -4.359213 -0.945723 2.001000
H 0.170300 -0.572797 1.350540
H 0.204422 1.165350 1.003619
H 1.440165 0.706055 -1.163852
H 1.404869 -1.026003 -0.820328
H 2.738706 1.105274 0.983347
H 2.704146 -0.627594 1.325799
H -7.132080 1.266351 0.849562
H -7.161210 -0.467349 1.204950
H -6.284509 0.638920 2.265823
H 3.937645 -1.080134 -0.848164
H 3.973737 0.652314 -1.187874
H 5.273194 1.046174 0.958716
H 5.238933 -0.686986 1.297158
H 6.511694 0.602163 -1.212048
H 6.469943 -1.133196 -0.882083
H 7.788519 -0.764295 1.256134
H 7.792857 0.975777 0.957982
H 8.960903 -1.013853 -1.110711
H 10.984449 0.424684 -0.889353
H 10.190134 1.399744 0.397069


%chk=000228923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228923

0 1
O -3.518443 1.308832 -0.754827
O -2.710397 -0.491504 0.623699
O -5.258494 -2.315608 -0.370808
O -6.026553 -0.617547 -1.672978
N -5.484363 -1.073930 -0.603304
C -5.168491 -0.050029 0.545400
C -2.454931 0.875931 0.157285
C -1.139634 0.886041 -0.606230
C -4.820832 1.320899 -0.079813
C -3.968769 -0.569467 1.370909
C 0.076897 0.542863 0.281126
C 1.402559 0.542796 -0.512110
C 2.630239 0.197267 0.359854
C -6.454226 0.022027 1.397747
C 3.958239 0.189969 -0.430562
C 5.185729 -0.160922 0.439862
C 6.512727 -0.163809 -0.351724
C 7.739925 -0.525289 0.527700
C 9.031646 -0.580105 -0.260318
C 10.140957 0.160261 -0.008862
H -2.450870 1.554670 1.048124
H -1.020224 1.889083 -1.057548
H -1.229486 0.160091 -1.435621
H -4.822576 2.071785 0.741553
H -5.555770 1.602049 -0.847298
H -4.099327 -1.629006 1.632873
H -3.909293 0.046679 2.295824
H -0.082462 -0.449667 0.743783
H 0.150687 1.274310 1.113725
H 1.553950 1.537721 -0.981227
H 1.328522 -0.186123 -1.345714
H 2.705293 0.926093 1.194156
H 2.477252 -0.797130 0.828763
H -7.307306 0.374981 0.792698
H -6.704129 -0.969397 1.813909
H -6.308523 0.724717 2.236827
H 3.882169 -0.536625 -1.266373
H 4.112555 1.185141 -0.897717
H 5.260794 0.563212 1.278015
H 5.033503 -1.158129 0.903937
H 6.676805 0.831708 -0.810609
H 6.438515 -0.886556 -1.190797
H 7.551973 -1.515350 0.996248
H 7.835454 0.205517 1.354535
H 9.042195 -1.282998 -1.109561
H 11.043715 0.074251 -0.624412
H 10.176296 0.875100 0.823159


