%chk=000181640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181640

0 1
O 2.877092 0.731451 0.799998
O 3.220340 -2.323107 1.751509
O 4.180090 -1.963519 -0.538855
O 3.099714 2.143445 -1.937324
O -3.708455 1.296294 0.395388
N 0.678268 0.253177 1.517600
N -1.178059 1.510859 2.070475
N -0.230179 -0.880347 -0.522138
N -2.584886 -0.231740 -0.978953
N -1.404255 -1.691486 -2.407403
C 2.303469 -1.597405 0.953846
C 2.085720 -0.183393 1.566633
C 2.899850 -1.324226 -0.457675
C 3.203205 0.187183 -0.513833
C 2.397976 0.952886 -1.570992
C -0.295591 -0.030114 0.552029
C 0.075195 1.226748 2.407053
C -1.453785 0.750361 0.920856
C -2.603069 0.606263 0.097157
C -1.404119 -0.923435 -1.255581
C -4.892981 1.129244 -0.488761
C -5.897888 2.057740 0.153011
H 1.389331 -2.231203 0.948826
H 2.470853 -0.084490 2.611417
H 2.240765 -1.683593 -1.272908
H 4.298331 0.386962 -0.614762
H 1.384648 1.209467 -1.211419
H 2.328636 0.399150 -2.527254
H 4.152315 -2.004113 1.587333
H 4.068669 -2.942901 -0.550994
H 0.631255 1.634869 3.239703
H 3.127132 2.764015 -1.174845
H -4.596414 1.425478 -1.509049
H -5.184157 0.066005 -0.462947
H -0.661449 -2.355752 -2.557564
H -2.280991 -1.862866 -2.878957
H -6.848550 2.054246 -0.393521
H -6.103594 1.772595 1.195366
H -5.527833 3.093456 0.184035


%chk=000181640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181640

0 1
O 2.746862 0.906910 0.472893
O 3.451637 -1.777746 2.048686
O 3.906386 -2.374092 -0.498975
O 3.669223 1.979444 -2.013460
O -3.894784 1.219642 0.566028
N 0.604957 0.444305 1.489631
N -1.325511 1.455624 2.236969
N -0.244523 -0.537160 -0.631386
N -2.628989 -0.038475 -0.981688
N -1.407646 -1.280425 -2.536074
C 2.350681 -1.381221 1.178444
C 2.029444 0.103243 1.480374
C 2.825721 -1.388291 -0.309274
C 3.410693 0.020676 -0.528124
C 3.131705 0.622719 -1.907674
C -0.373528 0.172208 0.525620
C -0.031826 1.227226 2.483183
C -1.561561 0.802238 1.009836
C -2.709329 0.654107 0.181007
C -1.418706 -0.596872 -1.339347
C -5.070248 1.046260 -0.342303
C -6.232419 1.769345 0.329476
H 1.473989 -2.033867 1.347555
H 2.427049 0.355753 2.478575
H 1.963604 -1.575775 -0.971948
H 4.497199 0.016381 -0.318023
H 2.036690 0.606729 -2.092874
H 3.650899 0.037346 -2.686191
H 4.103960 -2.266206 1.468913
H 3.531753 -3.226330 -0.833453
H 0.513935 1.588629 3.352762
H 3.294578 2.504131 -1.259310
H -4.814590 1.472302 -1.329196
H -5.256226 -0.035311 -0.470844
H -0.542508 -1.687150 -2.877822
H -2.262384 -1.322190 -3.083155
H -7.139310 1.680201 -0.296335
H -6.446479 1.333827 1.320102
H -6.003797 2.840067 0.463900


