%chk=000269906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269906

0 1
O 0.985743 0.863489 -0.434435
O 0.871507 -1.222482 2.209110
O 1.234624 -2.188217 -1.148598
O 3.975604 0.640199 1.588993
O -1.893690 0.636019 -2.571122
O 4.732511 -0.732826 -0.509898
O -4.940302 1.719691 0.660781
N -1.292510 0.221636 -0.374230
N -3.431801 1.181852 -0.939050
N 3.360434 0.308379 -2.022865
C 1.556312 -1.025167 0.968050
C 1.773188 0.488313 0.729788
C 0.547881 -1.484646 -0.116288
C 0.067926 -0.179733 -0.807898
C 3.226774 0.881030 0.401181
C -1.626859 0.322787 0.994982
C -2.191700 0.693758 -1.393870
C 3.831214 0.059233 -0.753521
C -2.827123 0.801102 1.404969
C -3.836079 1.274808 0.442913
C -3.195172 0.889203 2.846235
H 2.499151 -1.612689 0.952396
H 1.394671 1.097472 1.582086
H -0.270157 -2.103440 0.311839
H 0.115844 -0.225565 -1.931268
H 3.302113 1.978998 0.206432
H 1.495982 -1.118996 2.964809
H 1.313707 -3.143624 -0.925709
H -0.861982 -0.028443 1.709956
H 4.686899 -0.051077 1.419117
H -4.095378 1.506899 -1.659502
H 2.499230 0.824082 -2.168552
H 3.666819 -0.274712 -2.791002
H -2.729385 1.764691 3.323460
H -2.893287 -0.003385 3.409933
H -4.285711 1.002362 2.978376


%chk=000269906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269906

0 1
O 1.002498 0.608626 -0.895030
O 1.073150 -1.296565 2.151403
O 0.939467 -2.493335 -1.236683
O 3.568174 0.639366 1.793677
O -1.999080 0.800848 -2.632798
O 5.155373 -0.199605 -0.129199
O -4.789004 2.076492 0.888245
N -1.366011 0.195560 -0.436778
N -3.358767 1.408072 -0.829453
N 3.627578 0.188002 -1.861810
C 1.496821 -1.086304 0.768502
C 1.631451 0.423918 0.435340
C 0.395598 -1.614552 -0.198127
C -0.114901 -0.371001 -0.965439
C 3.081931 0.929197 0.445007
C -1.657456 0.226725 0.939741
C -2.228678 0.806806 -1.394461
C 4.040092 0.240693 -0.564065
C -2.777375 0.827121 1.462070
C -3.725616 1.484334 0.547013
C -3.092489 0.846125 2.937071
H 2.449155 -1.612883 0.562593
H 1.070984 1.007782 1.193020
H -0.400608 -2.122357 0.378028
H -0.273587 -0.576110 -2.033006
H 3.102720 2.021125 0.254582
H 1.772736 -0.894446 2.732126
H 1.249970 -3.337539 -0.821868
H -0.936404 -0.276272 1.593842
H 4.502037 0.286932 1.660351
H -3.999785 1.850883 -1.496158
H 2.656696 0.435973 -2.087003
H 4.233786 -0.238144 -2.563259
H -3.177766 1.884722 3.304712
H -2.316841 0.323520 3.521977
H -4.068849 0.367291 3.133436


