%chk=000227665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227665

0 1
O -1.603804 -1.830700 0.885497
O -1.502590 -1.446813 -1.339623
N -0.196069 1.092620 -0.085463
C -1.519100 1.610799 0.431166
C 0.911126 2.055688 0.274185
C 0.090104 -0.340106 0.243483
C -2.643435 1.232360 -0.559187
C 1.486071 1.857585 1.697319
C -1.857046 1.191925 1.867243
C 2.008685 2.033931 -0.793620
C 1.325565 -0.865012 -0.467689
C -1.076796 -1.218455 -0.236265
C -3.704250 2.324873 -0.653591
C 2.253993 3.085113 2.176669
C 2.394399 -1.371256 0.284983
C 1.389066 -0.879228 -1.869917
C 3.526572 -1.873996 -0.363831
C 2.521958 -1.382994 -2.511893
C 3.593242 -1.878391 -1.760213
C -2.762910 -2.705014 0.713608
C -4.021479 -1.872500 0.850348
H -1.426417 2.735415 0.416477
H 0.435110 3.078530 0.232515
H 0.198044 -0.498281 1.355569
H -2.205149 1.044295 -1.564061
H -3.128200 0.273181 -0.266259
H 2.149250 0.972054 1.720199
H 0.655909 1.641962 2.405658
H -1.037055 1.435647 2.557894
H -2.055390 0.114147 1.954611
H -2.754715 1.709311 2.221044
H 1.578943 1.889965 -1.794288
H 2.737314 1.230312 -0.638305
H 2.560887 2.978838 -0.799914
H -4.506212 2.030925 -1.341309
H -3.285062 3.264840 -1.031521
H -4.164139 2.532657 0.318593
H 2.643980 2.935284 3.190041
H 1.621617 3.979865 2.197702
H 3.110503 3.302926 1.527034
H 2.349315 -1.379520 1.372380
H 0.540960 -0.498324 -2.447009
H 4.356247 -2.265418 0.221787
H 2.568557 -1.393059 -3.599632
H 4.475232 -2.270698 -2.262502
H -2.690247 -3.209546 -0.267744
H -2.622538 -3.427866 1.536241
H -4.913175 -2.434769 0.551694
H -4.171313 -1.518764 1.877081
H -3.964559 -0.971437 0.206315


%chk=000227665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227665

0 1
O -1.558521 -1.920925 0.938531
O -1.578332 -1.304196 -1.309249
N -0.218940 1.208717 -0.030810
C -1.562182 1.768208 0.393822
C 0.930978 2.144221 0.304600
C 0.024996 -0.226896 0.295971
C -2.712374 1.442791 -0.606640
C 1.656370 1.857909 1.656704
C -1.980823 1.457097 1.859991
C 1.937157 2.300449 -0.864326
C 1.265155 -0.831240 -0.389639
C -1.131658 -1.151604 -0.153257
C -3.785288 2.554792 -0.639804
C 2.575805 3.016310 2.105943
C 2.226915 -1.524866 0.383135
C 1.413887 -0.783390 -1.798386
C 3.337264 -2.144514 -0.235445
C 2.521458 -1.399550 -2.417602
C 3.489328 -2.079999 -1.639100
C -2.565764 -2.990676 0.651440
C -3.991868 -2.444845 0.764025
H -1.424200 2.864766 0.318494
H 0.446063 3.134649 0.419204
H 0.130074 -0.400378 1.389825
H -2.266548 1.317217 -1.608869
H -3.199256 0.482861 -0.353185
H 2.259415 0.934697 1.566105
H 0.901366 1.676028 2.446647
H -1.256933 1.863628 2.588830
H -2.075254 0.370220 2.032765
H -2.963042 1.916917 2.075446
H 1.387840 2.358039 -1.819271
H 2.647121 1.459170 -0.923270
H 2.520435 3.232407 -0.744147
H -4.590621 2.302906 -1.354085
H -3.346932 3.520742 -0.955953
H -4.256258 2.706924 0.350044
H 3.003784 2.815064 3.105448
H 2.016905 3.970205 2.166630
H 3.417558 3.161742 1.406123
H 2.103267 -1.586356 1.471824
H 0.656599 -0.261450 -2.391394
H 4.077269 -2.674462 0.374877
H 2.629373 -1.354601 -3.507252
H 4.348542 -2.558803 -2.122626
H -2.367743 -3.392935 -0.357672
H -2.354316 -3.755117 1.416422
H -4.716362 -3.272722 0.650598
H -4.158272 -1.973880 1.748500
H -4.192438 -1.702368 -0.026461


