%chk=000219488.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219488

0 1
O 4.682905 -0.551340 -0.244168
O 3.572945 -1.089409 -2.109037
N 1.146284 3.296902 1.172667
C -0.193152 -0.106865 0.039047
C -0.065856 1.034560 1.081733
C 1.088959 -0.189547 -0.835108
C 0.127745 2.447756 0.469159
C -1.435249 0.181780 -0.811173
C -0.372481 -1.476573 0.706060
C 2.343562 -0.552847 -0.038279
C -1.196444 3.222063 0.425938
C -2.704501 -0.013934 -0.234897
C -0.758133 -2.568725 -0.093567
C -1.357639 0.663330 -2.124283
C -0.135429 -1.690383 2.069877
C 0.906968 3.428683 2.638183
C 2.536969 2.828302 0.905593
C 3.512651 -0.770212 -0.946411
C -3.864652 0.261866 -0.958726
C -0.906986 -3.839700 0.461850
C -2.523154 0.938798 -2.849194
C -0.286940 -2.965965 2.626236
C -3.778121 0.739987 -2.271286
C -0.671939 -4.043352 1.826582
H -0.965891 1.034444 1.727130
H 0.777511 0.806213 1.761743
H 1.247318 0.786947 -1.343161
H 0.939847 -0.935443 -1.645593
H 0.495919 2.337449 -0.589300
H 2.582687 0.247778 0.710499
H 2.180325 -1.477530 0.564128
H -1.658748 3.320274 1.412818
H -1.036296 4.238742 0.042938
H -1.918449 2.724810 -0.233255
H -2.784250 -0.390922 0.784940
H -0.950855 -2.420948 -1.156999
H -0.394798 0.836183 -2.602773
H 0.169769 -0.870534 2.717956
H 1.078244 2.513815 3.222858
H 1.567345 4.219294 3.031084
H -0.129752 3.760223 2.810456
H 3.252530 3.448843 1.467300
H 2.731386 1.767335 1.155449
H 2.757079 2.976655 -0.164547
H -4.839998 0.103433 -0.501377
H -1.207499 -4.675363 -0.168765
H -2.446086 1.311026 -3.869795
H -0.102521 -3.115319 3.688933
H -4.682757 0.954166 -2.835952
H -0.789184 -5.034446 2.259409
H 5.496113 -0.703799 -0.793320


%chk=000219488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219488

0 1
O 4.669118 -1.338024 -0.374727
O 3.805210 0.297801 -1.772180
N 1.117582 3.327238 1.143957
C -0.192415 -0.135583 0.041247
C -0.046370 1.030271 1.088752
C 1.105540 -0.243171 -0.833616
C 0.046191 2.494031 0.514850
C -1.429161 0.162026 -0.848217
C -0.392025 -1.507467 0.744838
C 2.339215 -0.792463 -0.090731
C -1.309678 3.229619 0.587883
C -2.730563 -0.033671 -0.310200
C -0.718827 -2.643052 -0.047060
C -1.326923 0.677510 -2.165100
C -0.210339 -1.703753 2.136480
C 0.980071 3.572651 2.590980
C 2.488823 2.935268 0.778617
C 3.624182 -0.530026 -0.850577
C -3.886295 0.277900 -1.054964
C -0.853853 -3.923866 0.526185
C -2.483996 0.989534 -2.917978
C -0.349877 -2.986527 2.718843
C -3.769170 0.794508 -2.367598
C -0.668952 -4.103918 1.918017
H -0.901902 0.974957 1.789121
H 0.862348 0.837698 1.694234
H 1.365193 0.745841 -1.250629
H 0.901696 -0.900844 -1.699627
H 0.324879 2.438409 -0.555920
H 2.458331 -0.316398 0.903149
H 2.257060 -1.875049 0.106815
H -1.705857 3.260991 1.620218
H -1.191206 4.266331 0.227636
H -2.060067 2.717332 -0.036653
H -2.835421 -0.444800 0.700715
H -0.884215 -2.515214 -1.123784
H -0.346338 0.840029 -2.623181
H 0.037288 -0.858998 2.786500
H 1.151779 2.666909 3.228124
H 1.719580 4.334897 2.899349
H -0.023120 3.967767 2.821585
H 3.192527 3.733366 1.080436
H 2.843156 1.986958 1.263376
H 2.570308 2.804350 -0.314778
H -4.877041 0.116219 -0.614972
H -1.107900 -4.780044 -0.109261
H -2.376828 1.386673 -3.933945
H -0.206910 -3.108962 3.798743
H -4.664951 1.036871 -2.950281
H -0.775507 -5.097414 2.367660
H 5.502928 -1.116209 -0.872732


