%chk=000270587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270587

0 1
O 1.770725 2.325141 0.887310
O -1.769811 2.325965 -0.887094
N 2.780071 1.307106 -0.887208
N -2.779560 1.308098 0.887292
C 2.889591 -1.144494 -0.423526
C -2.890010 -1.143406 0.423318
C 3.439523 0.266302 -0.054374
C -3.439389 0.267644 0.054318
C 3.629003 -2.223049 0.393398
C -3.629827 -2.221584 -0.393737
C 4.963575 0.336236 -0.286234
C -4.963422 0.338140 0.286154
C 5.144135 -2.148139 0.169579
C -5.144935 -2.146115 -0.169935
C 5.684881 -0.754036 0.514191
C -5.685137 -0.751766 -0.514402
C 1.396169 -1.200848 -0.193639
C -1.396611 -1.200313 0.193435
C 0.524693 -1.211087 -1.293411
C -0.857920 -1.202884 -1.101605
C 0.857472 -1.203326 1.101401
C -0.525145 -1.211000 1.293206
C 1.914667 2.252382 -0.327899
C -1.913811 2.253131 0.328102
C 1.223337 3.159148 -1.297127
C -1.222279 3.159627 1.297436
H 3.103398 -1.333546 -1.505574
H -3.103899 -1.332491 1.505343
H 3.211002 0.485153 1.025355
H -3.210755 0.486530 -1.025379
H 3.404474 -2.107638 1.471641
H 3.248916 -3.223003 0.110953
H -3.250130 -3.221716 -0.111399
H -3.405238 -2.106139 -1.471963
H 5.335882 1.336004 0.010757
H 5.199047 0.232962 -1.361756
H -5.335337 1.338084 -0.010738
H -5.198958 0.234843 1.361660
H 5.652477 -2.913194 0.786141
H 5.384720 -2.396357 -0.881879
H -5.653562 -2.910905 -0.786590
H -5.385633 -2.394356 0.881493
H 5.568583 -0.562881 1.599064
H 6.771718 -0.708731 0.312958
H -5.568749 -0.560536 -1.599252
H -6.771960 -0.706064 -0.313178
H 2.841091 1.192037 -1.892195
H -2.840620 1.192918 1.892265
H 0.922805 -1.211964 -2.305981
H -1.519768 -1.181106 -1.966518
H 1.519330 -1.181882 1.966315
H -0.923259 -1.211825 2.305774
H 1.173044 4.183288 -0.900672
H 1.668396 3.207789 -2.293824
H 0.161340 2.837395 -1.426034
H -1.171687 4.183783 0.901066
H -1.667372 3.208313 2.294116
H -0.160383 2.837563 1.426382


%chk=000270587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270587

0 1
O 1.820321 2.380980 0.904911
O -1.819523 2.381637 -0.904836
N 2.867843 1.313388 -0.879010
N -2.867388 1.314365 0.879062
C 2.937256 -1.151484 -0.405633
C -2.937757 -1.150401 0.405382
C 3.525582 0.264986 -0.078537
C -3.525606 0.266320 0.078517
C 3.693716 -2.243863 0.402965
C -3.694624 -2.242392 -0.403353
C 5.058829 0.301660 -0.301578
C -5.058817 0.303490 0.301702
C 5.218825 -2.197530 0.162170
C -5.219699 -2.195585 -0.162451
C 5.787450 -0.800570 0.500507
C -5.787878 -0.798368 -0.500499
C 1.425954 -1.198887 -0.190718
C -1.426475 -1.198337 0.190447
C 0.536221 -1.207425 -1.293692
C -0.862219 -1.197514 -1.110019
C 0.861698 -1.197997 1.109747
C -0.536746 -1.207362 1.293418
C 2.037305 2.287050 -0.347628
C -2.036395 2.287658 0.347718
C 1.390572 3.224584 -1.357875
C -1.389010 3.224698 1.358006
H 3.137945 -1.340668 -1.484194
H -3.138501 -1.339665 1.483920
H 3.298922 0.511992 0.976037
H -3.298950 0.513389 -0.976044
H 3.497040 -2.103594 1.484989
H 3.285729 -3.237039 0.134811
H -3.286953 -3.235748 -0.135388
H -3.497966 -2.102009 -1.485365
H 5.436075 1.304065 -0.024913
H 5.270939 0.162421 -1.383879
H -5.435742 1.306069 0.025228
H -5.270883 0.164153 1.383999
H 5.721134 -2.974850 0.769744
H 5.433507 -2.433287 -0.901091
H -5.722316 -2.972624 -0.770129
H -5.434390 -2.431460 0.900782
H 5.662039 -0.607618 1.585833
H 6.873954 -0.762168 0.292355
H -5.662486 -0.605280 -1.585804
H -6.874352 -0.759627 -0.292254
H 2.985016 1.277916 -1.893573
H -2.984451 1.278799 1.893635
H 0.945164 -1.209514 -2.312364
H -1.514083 -1.173835 -1.990989
H 1.513570 -1.174692 1.990721
H -0.945688 -1.209412 2.312090
H 1.520814 4.266740 -1.019527
H 1.808408 3.123836 -2.375571
H 0.302058 3.019645 -1.393807
H -1.518765 4.266978 1.019849
H -1.806727 3.124004 2.375756
H -0.300598 3.019181 1.393723


