%chk=000216187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216187

0 1
O 0.973201 -0.004097 -1.626922
O 4.453280 -2.918087 -1.339709
O 1.051133 3.655356 1.269081
O 0.714933 4.472421 -0.789996
O -3.143735 -2.007386 2.104740
O -4.107670 -2.759558 -0.330160
N 2.434846 -2.089786 -0.587901
N 0.765169 1.135195 0.339463
C 1.945462 -1.049594 0.343433
C 3.206496 -0.531960 1.088814
C 4.393008 -1.341944 0.546047
C 1.197533 0.050890 -0.432859
C -0.070377 2.189548 -0.259937
C 3.843004 -2.199324 -0.583251
C -1.491554 2.225972 0.340366
C -2.199207 0.914836 0.134171
C 0.591835 3.551837 -0.024921
C -2.364567 0.041877 1.224041
C -2.677510 0.565037 -1.134157
C -3.008459 -1.178650 1.023506
C -3.326541 -0.659799 -1.342708
C -3.489337 -1.527141 -0.266554
H 1.221925 -1.526613 1.059250
H 3.095015 -0.669215 2.178470
H 3.366112 0.548956 0.922830
H 4.852927 -1.985077 1.320290
H 5.207114 -0.695791 0.167000
H 1.880627 -2.298095 -1.418320
H -0.127818 2.019313 -1.381331
H 0.889819 1.178632 1.347934
H -1.446961 2.486005 1.419969
H -2.072370 3.049468 -0.131305
H -2.008532 0.296733 2.220073
H -2.541454 1.241095 -1.977682
H -3.689730 -0.923975 -2.333376
H 1.491948 4.529906 1.451108
H -3.624548 -2.847479 1.850182
H -4.394016 -2.973707 -1.251776


%chk=000216187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216187

0 1
O 0.753896 -0.052665 -1.723718
O 4.669925 -2.999633 -1.080314
O 1.480829 3.674430 0.937946
O 0.158199 4.675993 -0.692970
O -2.769534 -2.307349 1.950267
O -4.099295 -2.838209 -0.336630
N 2.633447 -1.842905 -0.767376
N 0.787808 1.199681 0.244287
C 1.974344 -0.963071 0.201869
C 3.169142 -0.447368 1.072375
C 4.226818 -1.573785 0.942551
C 1.133208 0.103737 -0.524092
C -0.083270 2.257427 -0.268077
C 3.916596 -2.238504 -0.417317
C -1.513036 2.249874 0.396723
C -2.233766 0.931240 0.182295
C 0.514929 3.648604 -0.083437
C -2.192724 -0.076849 1.178454
C -2.925200 0.678182 -1.028212
C -2.822060 -1.316240 0.964742
C -3.565361 -0.562534 -1.249123
C -3.508806 -1.555494 -0.254785
H 1.267054 -1.539526 0.839767
H 2.871691 -0.256665 2.117965
H 3.564191 0.491289 0.643053
H 4.127800 -2.334829 1.739196
H 5.266894 -1.211833 0.953997
H 2.188152 -2.073944 -1.657659
H -0.203714 2.074967 -1.350945
H 1.204854 1.330317 1.167990
H -1.396884 2.460559 1.476702
H -2.080255 3.088406 -0.047686
H -1.678200 0.087349 2.130956
H -2.962449 1.447601 -1.807299
H -4.097751 -0.749680 -2.189867
H 1.814019 4.604433 1.057808
H -3.265905 -3.105198 1.627030
H -4.534581 -2.992008 -1.208561


