%chk=000277025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277025

0 1
O -4.703186 -1.058934 0.124538
N -1.038195 -1.097670 -0.166520
C 0.082587 -0.497246 0.637692
C 1.419641 -0.901851 -0.024135
C -0.094455 1.037106 0.720015
C 2.622349 -0.553838 0.858797
C -0.156993 1.720769 -0.649381
C 3.983638 -0.972718 0.260845
C -0.327663 3.252516 -0.587645
C -2.328064 -1.133454 0.581464
C 4.263238 -0.264866 -1.070380
C 4.092167 -2.494328 0.101344
C 0.857927 3.933202 0.109152
C -1.650821 3.654726 0.077141
C -3.447899 -1.551105 -0.399855
C -3.648256 -3.057066 -0.486025
H 0.076555 -0.891742 1.690228
H 1.511759 -0.399154 -1.008612
H 1.423925 -1.987047 -0.243231
H 0.741142 1.458025 1.312625
H -1.017104 1.265940 1.288474
H 2.506472 -1.029381 1.851936
H 2.636069 0.538924 1.046208
H 0.760083 1.479092 -1.222372
H -0.991170 1.279517 -1.233420
H 4.770875 -0.649475 0.991267
H -0.355033 3.618160 -1.647442
H -0.788482 -2.051719 -0.451723
H -2.317432 -1.800757 1.468019
H -2.548657 -0.113933 0.970842
H 4.169826 0.821759 -0.972566
H 5.275205 -0.480078 -1.429033
H 3.566202 -0.583280 -1.853384
H 3.893847 -3.010905 1.045900
H 3.380036 -2.875922 -0.638378
H 5.093658 -2.786584 -0.231942
H 1.808674 3.642163 -0.348965
H 0.779978 5.023584 0.048944
H 0.909941 3.668191 1.170349
H -1.810163 4.736411 0.019546
H -2.502396 3.166983 -0.407887
H -1.671844 3.377934 1.136347
H -3.286026 -1.097145 -1.403825
H -4.472930 -3.298473 -1.170355
H -3.926441 -3.477012 0.489843
H -2.748386 -3.567134 -0.840742
H -4.752896 -0.089986 0.044505


%chk=000277025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277025

0 1
O -4.775396 -1.377967 0.452620
N -1.045694 -0.987010 -0.087050
C 0.121372 -0.435772 0.658196
C 1.416239 -0.915363 -0.047036
C 0.020904 1.111615 0.781265
C 2.713369 -0.465662 0.663857
C 0.053619 1.856933 -0.572854
C 4.026242 -1.109217 0.129703
C -0.364188 3.355116 -0.519763
C -2.331400 -1.017052 0.638788
C 4.263297 -0.797721 -1.368244
C 4.090164 -2.633416 0.394992
C 0.543872 4.185673 0.420049
C -1.856959 3.538884 -0.149708
C -3.497304 -1.420732 -0.293621
C -3.392161 -2.853249 -0.825766
H 0.147120 -0.841224 1.704440
H 1.406295 -0.560181 -1.094630
H 1.388494 -2.024822 -0.088414
H 0.841321 1.458929 1.438424
H -0.915683 1.356028 1.319787
H 2.626697 -0.693065 1.747627
H 2.808465 0.635998 0.581151
H 1.077209 1.798605 -0.998141
H -0.613782 1.316587 -1.273224
H 4.856121 -0.641543 0.701931
H -0.231534 3.753125 -1.548915
H -0.819552 -1.915441 -0.469976
H -2.334076 -1.702300 1.523443
H -2.534255 0.002322 1.024275
H 4.218653 0.290426 -1.564370
H 5.255407 -1.161536 -1.694810
H 3.502991 -1.288224 -2.004039
H 3.927600 -2.861267 1.465384
H 3.325941 -3.179844 -0.188959
H 5.077724 -3.039809 0.106796
H 1.610970 4.070951 0.150022
H 0.293115 5.261858 0.366185
H 0.424604 3.867726 1.472846
H -2.158132 4.599283 -0.242781
H -2.508007 2.939155 -0.813630
H -2.055488 3.230809 0.894113
H -3.522407 -0.705136 -1.143710
H -4.295410 -3.102967 -1.407890
H -3.314257 -3.569310 0.012359
H -2.515351 -2.969460 -1.488198
H -4.915462 -0.458531 0.795679


