%chk=000251454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251454

0 1
O -5.139323 -0.494623 0.270298
O -3.311281 -0.942286 -0.988054
O 5.119299 -1.065221 -0.095436
O -0.422939 2.391617 0.439126
O 1.661111 0.699320 1.475797
N -1.469718 1.254770 -1.287732
N 0.752018 0.682296 -0.647776
C -2.749636 1.943302 -0.991247
C -3.575238 1.235720 0.096114
C -3.933785 -0.168033 -0.292784
C -0.395060 1.504209 -0.384971
C -5.651564 -1.854036 0.076722
C -4.924554 -2.810728 0.996831
C 1.800867 0.440999 0.299138
C 6.248106 -1.393517 0.793505
C 2.994629 -0.180289 -0.291615
C 4.036098 -0.499148 0.505811
C 7.265715 -1.994619 -0.151692
H -2.535938 2.990758 -0.662789
H -3.323173 2.002444 -1.944132
H -4.487922 1.824417 0.335397
H -3.001654 1.210702 1.054949
H -1.601561 0.291780 -1.634419
H -5.542815 -2.120311 -0.989537
H -6.714849 -1.711491 0.343608
H 0.847190 0.282036 -1.585390
H -3.873980 -2.936029 0.693698
H -4.920798 -2.450385 2.034055
H -5.388347 -3.804337 0.990889
H 5.891671 -2.107698 1.554962
H 6.597286 -0.459547 1.265852
H 3.033727 -0.360913 -1.362992
H 6.866388 -2.885258 -0.658457
H 7.544913 -1.284822 -0.944323
H 8.180527 -2.287552 0.377492
H 4.069389 -0.337131 1.584402


%chk=000251454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251454

0 1
O -5.260070 -0.525233 0.316354
O -3.503425 -0.822110 -1.185446
O 5.176502 -1.148952 -0.205921
O -0.374931 2.577961 0.519984
O 1.942866 0.984845 1.500186
N -1.472893 1.209228 -1.029749
N 0.768007 0.772362 -0.537668
C -2.735158 1.951976 -0.936691
C -3.734400 1.308926 0.053522
C -4.119155 -0.103959 -0.353411
C -0.370747 1.595598 -0.266343
C -5.718590 -1.931303 0.065370
C -4.996788 -2.907079 0.997883
C 1.895118 0.579575 0.304789
C 6.336399 -1.389344 0.700243
C 2.988908 -0.169874 -0.363114
C 4.113786 -0.465869 0.350023
C 7.392669 -2.131054 -0.111039
H -2.492325 2.969825 -0.590006
H -3.188582 2.017777 -1.942345
H -4.651123 1.919012 0.144291
H -3.280048 1.272133 1.062511
H -1.549462 0.259907 -1.408197
H -5.535523 -2.173804 -0.995996
H -6.800383 -1.886355 0.267237
H 0.787649 0.304027 -1.447004
H -3.917915 -2.943719 0.771945
H -5.131893 -2.616363 2.053750
H -5.411030 -3.923595 0.863985
H 5.990707 -1.988018 1.565781
H 6.710993 -0.411940 1.062535
H 2.908089 -0.471341 -1.413667
H 6.996800 -3.091929 -0.481078
H 7.712204 -1.528717 -0.978156
H 8.277481 -2.335780 0.518423
H 4.191064 -0.150418 1.402320


