%chk=000186281.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186281

0 1
O -4.781276 -0.102803 0.000070
O -2.998289 -1.532771 -0.000283
N 1.874000 -0.619145 -0.000199
N 2.747974 1.527930 -0.000137
N -0.555683 -0.038419 -0.000070
N -2.772021 0.842969 0.000129
C 3.061048 0.213251 -0.000199
C 0.777906 0.260520 -0.000103
C 1.348238 1.589878 -0.000063
C 4.343595 -0.462962 -0.000268
C 1.926074 -2.020615 -0.000255
C 0.453976 2.682588 0.000021
C 4.364774 -1.829582 -0.000327
C 3.155627 -2.611041 -0.000322
C -1.365130 1.046518 0.000004
C 5.565164 0.385816 -0.000256
C -0.898763 2.410790 0.000064
C -3.424366 -0.407897 -0.000102
C -5.687774 -1.264449 0.000040
C -7.063624 -0.636269 0.000248
H 0.966059 -2.549713 -0.000253
H 0.841883 3.702441 0.000063
H 5.311610 -2.370828 -0.000395
H 3.245101 -3.697188 -0.000376
H 6.493884 -0.196500 -0.000629
H 5.583671 1.050763 0.879874
H 5.583323 1.051323 -0.879971
H -1.619618 3.225114 0.000142
H -3.367002 1.679011 0.000336
H -5.470077 -1.857926 -0.904872
H -5.469892 -1.858120 0.904779
H -7.848665 -1.402489 0.000213
H -7.214285 0.002282 0.881961
H -7.214439 0.002522 -0.881264


%chk=000186281-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186281

0 1
O -4.803112 -0.063918 0.000120
O -2.993557 -1.577347 -0.000250
N 1.898345 -0.600961 -0.000180
N 2.798256 1.545616 -0.000102
N -0.492915 -0.039151 -0.000056
N -2.730071 0.801540 0.000072
C 3.086244 0.213836 -0.000182
C 0.814133 0.289776 -0.000093
C 1.399967 1.600996 -0.000051
C 4.361011 -0.445986 -0.000267
C 1.920548 -1.987379 -0.000256
C 0.491087 2.690716 0.000032
C 4.368813 -1.843997 -0.000347
C 3.153055 -2.617769 -0.000340
C -1.334295 1.023799 0.000019
C 5.609311 0.403146 -0.000252
C -0.881156 2.391117 0.000064
C -3.426779 -0.407946 -0.000049
C -5.738518 -1.222151 0.000031
C -7.151084 -0.645887 0.000268
H 0.949052 -2.486644 -0.000247
H 0.848345 3.724124 0.000068
H 5.330126 -2.369306 -0.000419
H 3.192183 -3.709727 -0.000404
H 6.518190 -0.221633 -0.000533
H 5.630394 1.066483 0.883605
H 5.630123 1.066912 -0.883789
H -1.618498 3.201325 0.000120
H -3.329510 1.629030 0.000215
H -5.534881 -1.838213 -0.894799
H -5.534697 -1.838499 0.894621
H -7.889699 -1.468074 0.000212
H -7.323612 -0.024558 0.895777
H -7.323796 -0.024272 -0.895008


