%chk=000238372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238372

0 1
O 0.831576 2.459914 0.868975
O 1.814801 2.296535 -1.161993
N -2.259929 -1.313794 0.792266
C 0.498295 0.418548 -0.236274
C -0.346818 0.213049 -1.510780
C -1.242601 -1.028346 -1.413839
C 1.553926 -0.654953 -0.088794
C 1.142604 1.794785 -0.291391
C -2.395956 -0.815546 -0.469507
C 2.738256 -0.617310 -0.839310
C 1.323245 -1.718037 0.797443
C 3.688663 -1.630780 -0.694447
C 2.277087 -2.729657 0.935969
C -3.559102 -0.130920 -0.880645
C 3.461267 -2.687585 0.193101
C 1.346044 3.816775 1.053160
C -4.600568 0.037276 0.032344
C -3.284618 -1.140472 1.668236
C -4.470854 -0.472716 1.328673
C 0.522674 4.795274 0.241556
H -0.185869 0.387018 0.660746
H 0.326979 0.115811 -2.387970
H -0.965061 1.113550 -1.699543
H -1.623426 -1.295332 -2.420822
H -0.635695 -1.905498 -1.086899
H 2.920298 0.207834 -1.532388
H 0.393177 -1.761342 1.370068
H 4.608832 -1.595702 -1.275261
H 2.095191 -3.552755 1.624945
H -3.638121 0.257993 -1.892165
H 4.203479 -3.474915 0.304957
H 1.221274 3.939554 2.144483
H 2.414801 3.826845 0.774825
H -5.509394 0.562206 -0.262153
H -3.131519 -1.557724 2.670400
H -5.268037 -0.355513 2.057111
H 0.789577 5.832883 0.473020
H 0.681567 4.646019 -0.837275
H -0.551045 4.673826 0.432176


%chk=000238372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238372

0 1
O 1.032775 2.500413 0.917271
O 1.658505 2.371271 -1.325565
N -2.242802 -1.050916 0.793943
C 0.452054 0.482196 -0.260383
C -0.387081 0.248744 -1.554012
C -1.279970 -1.023600 -1.481934
C 1.521249 -0.606643 -0.072645
C 1.107556 1.858827 -0.320307
C -2.469691 -0.873210 -0.550903
C 2.680104 -0.647990 -0.891132
C 1.331245 -1.614363 0.906218
C 3.634398 -1.676303 -0.726082
C 2.286801 -2.643455 1.069161
C -3.759316 -0.544085 -1.047089
C 3.442364 -2.677184 0.255134
C 1.674558 3.849711 1.011658
C -4.838066 -0.397625 -0.148106
C -3.294767 -0.904402 1.651758
C -4.605347 -0.581913 1.234055
C 0.700531 4.944743 0.567629
H -0.217470 0.462484 0.615342
H 0.304320 0.162333 -2.412327
H -1.023358 1.135322 -1.745201
H -1.643118 -1.253350 -2.500772
H -0.664269 -1.877000 -1.144867
H 2.837911 0.131314 -1.646440
H 0.421058 -1.595728 1.516675
H 4.528632 -1.695536 -1.359828
H 2.127448 -3.418082 1.828179
H -3.907220 -0.412284 -2.124281
H 4.184432 -3.473650 0.382990
H 1.938185 3.935292 2.077953
H 2.587266 3.848033 0.390056
H -5.838944 -0.148488 -0.517098
H -3.067547 -1.056049 2.713696
H -5.411286 -0.481939 1.967730
H 1.158156 5.939132 0.725716
H 0.461211 4.841975 -0.503995
H -0.235505 4.898803 1.150798


