%chk=000183844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183844

0 1
O -2.845462 -1.463011 0.715645
N -2.045850 0.639387 0.136049
N -4.409328 0.202865 0.364334
C 3.641954 -0.227570 0.476820
C 2.148201 0.017462 0.391585
C 4.122341 -1.143756 -0.672119
C 1.612557 1.297924 0.136850
C 4.011472 -0.831719 1.839921
C 1.264906 -1.058227 0.567741
C 0.224200 1.476865 0.069348
C 3.986543 -0.474129 -2.036908
C -0.641381 0.380151 0.250360
C -0.117689 -0.896267 0.502185
C 2.493582 2.491355 -0.066668
C -3.068378 -0.305957 0.395522
C -5.459836 -0.850844 0.407333
C -4.739505 1.327357 -0.546827
H 4.190091 0.743692 0.385089
H 3.552424 -2.092773 -0.663143
H 5.178573 -1.425856 -0.497518
H 3.613757 -1.844789 1.963129
H 5.096780 -0.886180 1.970623
H 3.606962 -0.225608 2.659000
H 1.666067 -2.054367 0.763167
H -0.175954 2.467857 -0.123578
H 4.282734 -1.154615 -2.842681
H 2.948666 -0.170988 -2.228111
H 4.611278 0.421597 -2.114704
H -0.782023 -1.753504 0.650983
H 3.190377 2.332199 -0.902718
H 1.927868 3.404326 -0.290202
H 3.093927 2.698226 0.831207
H -2.303297 1.617723 -0.007014
H -6.364138 -0.429474 0.874762
H -5.116319 -1.696369 1.037711
H -5.714528 -1.255126 -0.583876
H -4.513866 1.116695 -1.605035
H -4.193793 2.234650 -0.236024
H -5.814708 1.566197 -0.469637


%chk=000183844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183844

0 1
O -2.918804 -1.671259 0.501339
N -2.087878 0.499444 0.099510
N -4.411548 0.083748 0.072689
C 3.683438 -0.176112 0.474262
C 2.165824 0.022808 0.367431
C 4.222528 -1.175868 -0.593069
C 1.574125 1.293226 0.091760
C 4.090923 -0.631128 1.902595
C 1.300341 -1.084815 0.553310
C 0.165324 1.395849 0.015739
C 4.013642 -0.701668 -2.046864
C -0.685555 0.274498 0.203135
C -0.102790 -0.988768 0.477720
C 2.412549 2.545023 -0.127653
C -3.120391 -0.442557 0.241828
C -5.557688 -0.827465 0.213373
C -4.678037 1.495497 -0.234465
H 4.181238 0.793990 0.281574
H 3.732686 -2.159988 -0.449828
H 5.304030 -1.335388 -0.406131
H 3.653734 -1.617577 2.144433
H 5.190749 -0.718165 1.987582
H 3.738781 0.085762 2.666325
H 1.736225 -2.068597 0.766847
H -0.280825 2.378141 -0.197311
H 4.409114 -1.439317 -2.769211
H 2.940248 -0.554425 -2.263954
H 4.532304 0.259383 -2.229548
H -0.747434 -1.856366 0.624837
H 3.087361 2.438629 -0.997989
H 1.769081 3.422838 -0.311255
H 3.047698 2.775248 0.748421
H -2.348372 1.465202 -0.101817
H -6.220953 -0.508913 1.040944
H -5.166050 -1.831749 0.435285
H -6.148801 -0.870702 -0.721964
H -4.220892 1.810773 -1.195433
H -4.331104 2.176613 0.570641
H -5.765616 1.639553 -0.332492


