%chk=000198747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198747

0 1
O -4.184396 1.462106 0.275924
O -3.366341 -0.945238 -1.099020
O 3.291210 1.742171 0.405078
O 4.815111 -2.673884 -1.119193
O 6.392802 -2.782724 0.651665
N -0.710629 2.461092 -0.310669
C -2.889424 1.351804 -0.404147
C -1.996205 2.287263 0.426143
C -2.413813 -0.103525 -0.391955
C 0.345119 3.078753 0.551936
C 1.637179 3.251136 -0.258995
C -5.081151 0.460937 -0.059019
C -4.679875 -0.725143 -0.715984
C 2.274279 1.916582 -0.637228
C -6.416190 0.657896 0.301225
C -5.615863 -1.710584 -1.037320
C 4.031740 0.588241 0.413528
C -7.347169 -0.337644 -0.016085
C -6.953762 -1.502602 -0.683586
C 4.734116 -1.525844 -0.350902
C 3.888446 -0.453009 -0.537846
C 5.677653 -1.584115 0.712998
C 4.959839 0.543226 1.469414
C 5.809526 -0.564646 1.634008
C 5.865134 -3.501046 -0.505056
H -3.050956 1.714136 -1.443232
H -2.545061 3.236063 0.622191
H -1.804049 1.837250 1.426245
H -2.297608 -0.505165 0.629349
H -1.482993 -0.249561 -0.971134
H 0.039388 4.057493 0.981702
H 0.535082 2.396834 1.413482
H -0.866618 3.048248 -1.139068
H 2.368966 3.834659 0.347009
H 1.455725 3.852758 -1.170280
H 1.566790 1.069471 -0.593973
H 2.787873 1.948934 -1.611868
H -6.710282 1.570698 0.814000
H -5.295194 -2.614919 -1.550011
H -8.391435 -0.197908 0.258788
H -7.694356 -2.262184 -0.928879
H 3.174979 -0.423343 -1.350981
H 5.012613 1.381136 2.161357
H 6.531016 -0.611459 2.445978
H 6.673919 -3.608507 -1.239431
H 5.392267 -4.425134 -0.147856


%chk=000198747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198747

0 1
O -3.855914 1.319193 0.518823
O -2.821756 -0.886824 -1.103985
O 2.954243 1.873810 0.432419
O 4.487130 -2.518354 -1.381884
O 5.312433 -3.198568 0.775076
N -0.574630 2.830004 -0.401696
C -2.602133 1.429112 -0.271105
C -1.734039 2.472863 0.444428
C -1.941515 0.049172 -0.370341
C 0.498583 3.588830 0.284174
C 1.755325 3.688876 -0.605238
C -4.657255 0.209218 0.157557
C -4.159275 -0.855376 -0.645354
C 2.404313 2.326983 -0.860578
C -5.990381 0.181963 0.615158
C -5.009100 -1.920121 -1.007968
C 3.537915 0.596496 0.487180
C -6.835381 -0.892128 0.261192
C -6.347479 -1.938307 -0.559803
C 4.259649 -1.501824 -0.420488
C 3.650796 -0.263710 -0.645466
C 4.741009 -1.896523 0.840970
C 4.022682 0.205853 1.761655
C 4.636296 -1.057906 1.954638
C 5.147290 -3.628038 -0.636986
H -2.869967 1.774976 -1.292680
H -2.386163 3.335440 0.716693
H -1.355714 2.045043 1.391970
H -1.744684 -0.351387 0.644134
H -1.004741 0.103013 -0.943780
H 0.178229 4.615158 0.585379
H 0.763539 3.045248 1.209432
H -0.875076 3.310932 -1.262720
H 2.493364 4.357664 -0.124367
H 1.491907 4.143337 -1.582345
H 1.641797 1.605617 -1.216517
H 3.224593 2.403973 -1.603337
H -6.345867 1.010676 1.235844
H -4.600665 -2.723501 -1.629211
H -7.870002 -0.907777 0.619168
H -7.002392 -2.768686 -0.843347
H 3.290859 0.011049 -1.638376
H 3.912944 0.904590 2.595331
H 5.011097 -1.362274 2.934878
H 6.142295 -3.809965 -1.078962
H 4.493244 -4.517118 -0.671263


