%chk=000197213.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197213

0 1
O -1.310665 1.920093 0.439361
O 0.739511 3.061651 -0.164807
O 2.718086 -2.962509 -0.893656
O 4.313788 -0.764041 0.378716
N -2.139967 -2.399194 0.447498
C -1.349682 -0.245456 -0.713979
C -2.252406 -0.909810 0.374832
C -1.708689 1.251926 -0.839850
C -3.723062 -0.636138 0.076211
C -3.204367 1.554920 -1.059764
C -4.519572 -1.852168 0.512634
C 0.136349 -0.375187 -0.411713
C -3.500301 -3.000165 0.249970
C -4.149480 0.471481 -0.574487
C 0.839524 0.686973 0.207919
C 0.136236 1.970380 0.613289
C -1.390361 -2.913365 1.609766
C 0.843896 -1.549341 -0.747739
C 2.222650 0.557775 0.459941
C 2.224695 -1.706770 -0.491314
C 2.931746 -0.615527 0.128638
C 0.312911 4.400408 0.301494
C 1.005405 5.430989 -0.588884
C 4.141296 -3.344200 -0.860585
C 5.006929 0.376717 0.975489
H -1.577211 -0.752602 -1.671446
H -1.977664 -0.455138 1.354363
H -1.106935 1.709481 -1.651396
H -3.383968 1.725285 -2.141197
H -3.423403 2.520591 -0.561006
H -4.756713 -1.797522 1.594555
H -5.467744 -1.974449 -0.038689
H -3.643076 -3.857391 0.933731
H -3.609510 -3.373311 -0.787576
H -5.216816 0.603280 -0.800796
H 0.255504 2.192865 1.695687
H -1.886035 -2.710566 2.593097
H -0.387628 -2.454583 1.633360
H -1.251230 -4.004956 1.512509
H 0.316918 -2.388467 -1.212049
H 2.748908 1.407531 0.905772
H -0.789986 4.479481 0.234923
H 0.605180 4.526014 1.368076
H 2.102742 5.329575 -0.523117
H 0.710233 5.289501 -1.642970
H 0.728057 6.456052 -0.281024
H 4.753035 -2.672049 -1.484928
H 4.150251 -4.364639 -1.276864
H 4.536903 -3.344785 0.166947
H 4.943292 1.272338 0.327037
H 6.056413 0.058685 1.067645
H 4.601514 0.616939 1.978182


%chk=000197213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197213

0 1
O -1.301486 1.917301 0.410493
O 0.767092 3.024482 -0.192491
O 2.812890 -2.996873 -0.564952
O 4.277535 -0.864638 0.629733
N -2.149947 -2.399462 0.510627
C -1.323453 -0.278145 -0.684878
C -2.254311 -0.911866 0.399006
C -1.673988 1.216349 -0.859102
C -3.716625 -0.639849 0.059908
C -3.162994 1.518950 -1.120489
C -4.527949 -1.841856 0.507643
C 0.153709 -0.407194 -0.341111
C -3.508023 -2.999267 0.293770
C -4.123331 0.451902 -0.629091
C 0.847822 0.666317 0.269268
C 0.141116 1.967131 0.612856
C -1.433762 -2.887973 1.705170
C 0.866393 -1.596727 -0.627147
C 2.222303 0.540413 0.580313
C 2.231583 -1.740221 -0.315477
C 2.922569 -0.653039 0.308735
C 0.342467 4.382939 0.216213
C 1.053814 5.374157 -0.703396
C 4.070445 -3.028876 -1.340012
C 4.979778 0.218506 1.320732
H -1.530476 -0.809705 -1.633837
H -1.999369 -0.434417 1.372999
H -1.052477 1.650655 -1.668595
H -3.317648 1.662430 -2.209656
H -3.388879 2.497864 -0.651534
H -4.787561 -1.760786 1.582694
H -5.464652 -1.973319 -0.060848
H -3.670167 -3.841132 0.991977
H -3.594459 -3.393981 -0.737917
H -5.184573 0.581565 -0.883443
H 0.240233 2.226203 1.688998
H -1.954513 -2.658056 2.669201
H -0.429185 -2.434606 1.744713
H -1.297909 -3.982155 1.638883
H 0.351391 -2.446422 -1.085813
H 2.735305 1.395915 1.029968
H -0.758869 4.465921 0.131406
H 0.621203 4.547344 1.281022
H 2.149411 5.267957 -0.619253
H 0.771306 5.194941 -1.755210
H 0.779887 6.411946 -0.438168
H 3.918298 -2.573793 -2.338298
H 4.306408 -4.098470 -1.450345
H 4.879452 -2.504592 -0.805852
H 5.022039 1.134157 0.699398
H 5.997745 -0.161998 1.491700
H 4.499914 0.450674 2.291298


