%chk=000221863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221863

0 1
O 0.186138 -1.318269 -0.242913
O -2.326263 -0.785073 -3.284690
O -0.529376 -1.703989 -2.501615
O -4.227427 2.840797 1.366998
O -4.840734 2.387893 -0.659552
N -1.498058 -0.976477 -2.409172
N -4.104078 2.258149 0.302000
C 2.601457 0.233729 -0.210619
C 3.944427 -0.016793 -0.927405
C 2.583437 1.628271 0.450557
C 4.212154 1.080404 -1.966237
C 2.858143 2.722851 -0.589435
C 4.181948 2.475309 -1.326339
C 2.321651 -0.835765 0.818912
C 1.110858 -1.543676 0.823765
C 3.247898 -1.178891 1.817980
C 0.795772 -2.551292 1.738047
C 2.963416 -2.180027 2.750161
C 1.744768 -2.869889 2.711059
C -0.819393 -0.435736 -0.037394
C -1.697594 -0.256263 -1.141388
C -1.027837 0.279072 1.166656
C -2.779517 0.629893 -1.023111
C -2.093774 1.150083 1.270580
C -2.972759 1.325530 0.172376
H 1.795231 0.203616 -0.991837
H 3.925983 -1.008557 -1.418343
H 4.773705 -0.048639 -0.196519
H 3.342455 1.677312 1.254147
H 1.606856 1.804244 0.937305
H 3.460343 1.022290 -2.777520
H 5.192320 0.907303 -2.449100
H 2.881600 3.712090 -0.094735
H 2.027008 2.766748 -1.319653
H 5.028759 2.582603 -0.621777
H 4.330504 3.248937 -2.102915
H 4.204603 -0.655273 1.860158
H -0.155643 -3.077361 1.674808
H 3.700096 -2.430330 3.514411
H 1.537065 -3.656051 3.436721
H -0.344040 0.135040 2.006294
H -3.469027 0.771178 -1.875932
H -2.277976 1.715910 2.194864


%chk=000221863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221863

0 1
O 0.182118 -1.248958 -0.203608
O -2.338538 -0.860615 -3.266784
O -0.116978 -0.544707 -2.842892
O -4.624012 2.554798 1.606389
O -5.086024 2.308396 -0.617217
N -1.356630 -0.537561 -2.493539
N -4.364086 2.087165 0.430030
C 2.700905 0.175702 -0.245414
C 4.088957 -0.069465 -0.901497
C 2.628531 1.627587 0.321655
C 4.367444 0.971644 -2.011655
C 2.915833 2.673243 -0.781850
C 4.279868 2.416449 -1.465151
C 2.367253 -0.853894 0.829659
C 1.115540 -1.515574 0.865811
C 3.282733 -1.200858 1.859686
C 0.774022 -2.491398 1.822076
C 2.964752 -2.159486 2.845981
C 1.710913 -2.814904 2.827252
C -0.871446 -0.379217 -0.004414
C -1.698379 -0.070239 -1.127941
C -1.206679 0.179137 1.258611
C -2.854587 0.713747 -0.990353
C -2.339829 0.992426 1.401280
C -3.159790 1.244088 0.276709
H 1.942303 0.091755 -1.048015
H 4.128530 -1.094487 -1.316854
H 4.888396 0.001121 -0.135248
H 3.371412 1.734710 1.139504
H 1.631541 1.808776 0.770234
H 3.625298 0.841834 -2.825592
H 5.365169 0.789347 -2.455413
H 2.887868 3.692514 -0.350165
H 2.111893 2.624824 -1.544880
H 5.094556 2.579921 -0.729047
H 4.437652 3.144624 -2.283798
H 4.264596 -0.715761 1.879839
H -0.197676 -2.992709 1.766392
H 3.696750 -2.404448 3.622977
H 1.466491 -3.572529 3.578727
H -0.575722 -0.043041 2.122926
H -3.497355 0.916634 -1.850914
H -2.608497 1.430308 2.366101


