%chk=000295884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295884

0 1
O -0.046584 -1.049353 -0.838902
O -3.045986 2.439651 -0.390670
O -4.380658 -1.126649 0.522823
N -1.347630 0.497869 0.261217
N 1.027214 0.696263 0.277315
N -4.795651 1.095546 -0.980155
N -2.440392 -2.273294 0.254772
C -2.549272 0.091888 -0.503592
C 2.390086 0.273352 0.113559
C -0.095791 -0.016930 -0.179723
C -3.490123 1.316705 -0.580562
C -3.208285 -1.135938 0.168050
C 3.376051 1.051010 0.756515
C 2.749413 -0.843990 -0.656399
C 4.718308 0.697102 0.617486
C 4.099518 -1.178679 -0.779083
C 5.085755 -0.415410 -0.147090
H -2.280430 -0.206098 -1.563372
H -1.405754 1.462316 0.627650
H 0.888890 1.543465 0.834349
H 3.106009 1.917689 1.354146
H 1.985700 -1.447134 -1.157884
H 5.485126 1.294622 1.110782
H 4.382517 -2.045807 -1.376835
H 6.134496 -0.684480 -0.249611
H -5.236496 0.185926 -0.831228
H -5.433610 1.883809 -0.965233
H -2.807641 -3.093127 0.716372
H -1.460381 -2.297625 -0.025797


%chk=000295884-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295884

0 1
O -0.035634 -1.348690 -0.762086
O -2.915094 2.478511 0.063698
O -4.564873 -1.342501 -0.069800
N -1.312226 0.453489 0.021155
N 1.011592 0.602330 0.050565
N -4.833645 1.254877 -0.461997
N -2.442197 -2.268350 0.071171
C -2.616484 0.121168 -0.567166
C 2.385157 0.220576 0.023711
C -0.107595 -0.166017 -0.269810
C -3.493559 1.394725 -0.280097
C -3.291041 -1.227112 -0.132407
C 3.326789 1.180232 0.486156
C 2.839437 -1.042443 -0.440382
C 4.704006 0.882235 0.488978
C 4.222408 -1.325748 -0.425857
C 5.162720 -0.376085 0.034340
H -2.528543 0.042336 -1.674410
H -1.337739 1.422407 0.388945
H 0.838367 1.563150 0.355000
H 2.980549 2.158342 0.845854
H 2.114506 -1.770612 -0.806720
H 5.416759 1.632741 0.848041
H 4.565425 -2.302646 -0.785034
H 6.232582 -0.609197 0.037202
H -5.201338 0.282890 -0.479986
H -5.432044 2.064519 -0.295345
H -2.851313 -3.175087 0.302526
H -1.432573 -2.167343 -0.177347


