%chk=000187767.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187767

0 1
O 4.463558 -0.464488 0.606742
N -2.139285 1.422612 0.731387
C -0.391270 -0.916612 0.465586
C -1.528861 -0.623778 -0.556689
C -1.743689 0.911268 -0.617744
C -0.803303 -0.357034 1.853330
C 0.881267 -0.181677 0.040138
C -0.483774 1.557335 -1.244139
C -1.119590 1.145390 1.793384
C -0.149796 -2.443441 0.590220
C -2.848163 -1.353973 -0.241650
C 0.817746 0.988641 -0.752548
C 2.126468 -0.633001 0.489032
C -2.474983 2.876937 0.698663
C 0.302869 -3.105599 -0.707520
C -3.736322 -1.498870 -1.475556
C 1.997400 1.659295 -1.107147
C 3.286077 0.062568 0.120208
C 3.248754 1.208649 -0.681157
H -1.174373 -0.960935 -1.562493
H -2.614428 1.124583 -1.293543
H 0.001174 -0.531844 2.591051
H -1.691199 -0.906183 2.221469
H -0.503672 2.652343 -1.069401
H -0.532974 1.433464 -2.346419
H -1.553284 1.468427 2.765083
H -0.180957 1.724613 1.649354
H -1.088828 -2.925590 0.937586
H 0.597401 -2.637029 1.385417
H -3.397444 -0.806234 0.553079
H -2.633388 -2.358561 0.177425
H 2.220667 -1.517883 1.117748
H -3.264063 3.050170 -0.049869
H -1.628880 3.543624 0.473173
H -2.891495 3.166312 1.677174
H -0.468671 -3.044283 -1.484012
H 1.208863 -2.634079 -1.109374
H 0.528107 -4.166156 -0.550314
H -4.003575 -0.522713 -1.896223
H -3.244968 -2.077413 -2.265227
H -4.672292 -2.011450 -1.226058
H 1.943943 2.554760 -1.726564
H 4.153211 1.734236 -0.962181
H 5.247924 0.059898 0.319282


%chk=000187767-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187767

0 1
O 4.593171 -0.471745 0.593637
N -2.117008 1.422440 0.710066
C -0.358059 -0.923496 0.470321
C -1.509181 -0.633912 -0.564179
C -1.723005 0.903725 -0.629376
C -0.785975 -0.334838 1.859321
C 0.929068 -0.184681 0.019727
C -0.469003 1.561863 -1.272870
C -1.136622 1.163014 1.789291
C -0.115720 -2.454426 0.648533
C -2.844362 -1.375949 -0.289893
C 0.857550 1.003502 -0.769587
C 2.201905 -0.629861 0.455044
C -2.609077 2.808653 0.703895
C 0.255355 -3.223321 -0.637353
C -3.810825 -1.347517 -1.496326
C 2.052665 1.684588 -1.105647
C 3.379503 0.063199 0.111164
C 3.317550 1.233003 -0.680001
H -1.149551 -0.949609 -1.566868
H -2.581151 1.118507 -1.296215
H 0.033096 -0.485230 2.589337
H -1.666485 -0.896676 2.225302
H -0.496072 2.659875 -1.122754
H -0.533355 1.407509 -2.370704
H -1.594051 1.478322 2.747786
H -0.203388 1.766692 1.665105
H -1.025390 -2.901598 1.093421
H 0.674515 -2.608281 1.408728
H -3.336937 -0.914130 0.586092
H -2.646647 -2.434286 -0.036734
H 2.313448 -1.527576 1.068898
H -3.374816 2.928851 -0.084476
H -1.815729 3.579608 0.531336
H -3.082301 3.036452 1.677445
H -0.567805 -3.203092 -1.374806
H 1.151733 -2.792003 -1.117752
H 0.470382 -4.283600 -0.409346
H -4.117926 -0.317752 -1.755346
H -3.342130 -1.795828 -2.393851
H -4.731814 -1.918599 -1.276698
H 1.988409 2.596547 -1.712691
H 4.229014 1.780708 -0.952935
H 5.358925 0.077244 0.292663


