%chk=000253595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253595

0 1
O 5.261018 -0.173465 -0.303240
O 0.167396 -2.714323 -1.337861
O -0.575088 3.324144 -0.525995
O -0.579508 -3.329976 0.602006
O 0.389890 2.606328 1.276785
O -5.226543 -1.013240 -0.059697
O -5.182257 1.130506 0.263670
N -0.438049 -2.533879 -0.301448
N -0.342059 2.482554 0.315586
N -4.653643 0.048993 0.090587
C -0.339780 -0.027348 0.002759
C 1.125977 -0.056886 -0.034900
C -1.108043 -1.208089 -0.131553
C -1.058399 1.179936 0.170268
C -2.503519 -1.202133 -0.087190
C -2.455081 1.222307 0.180415
C -3.169300 0.022757 0.060653
C 1.795058 -0.456002 -1.216080
C 1.874866 0.311380 1.097419
C 3.177345 -0.476472 -1.267793
C 3.267058 0.284000 1.070857
C 3.910419 -0.104993 -0.115017
C 6.129814 0.189286 0.801848
H -3.084220 -2.135988 -0.165434
H -2.997680 2.177269 0.279356
H 1.212474 -0.755655 -2.093755
H 1.360288 0.628320 2.010892
H 3.712963 -0.776348 -2.168215
H 3.829861 0.568309 1.955253
H 5.973983 -0.489592 1.645097
H 5.974195 1.235975 1.079040
H 7.124064 0.043227 0.357088


%chk=000253595-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253595

0 1
O 5.372291 -0.094306 -0.339135
O 0.345072 -2.750260 -1.109073
O -0.831136 3.404328 -0.661600
O -0.887355 -3.433658 0.691527
O 0.475120 2.674253 1.067657
O -5.309679 -1.098205 0.054446
O -5.274852 1.180675 0.222247
N -0.506542 -2.551007 -0.167565
N -0.430103 2.505057 0.170499
N -4.697141 0.033468 0.120586
C -0.341741 -0.024041 -0.010424
C 1.152274 -0.042619 -0.063475
C -1.140208 -1.207241 -0.069874
C -1.103496 1.179677 0.100896
C -2.543359 -1.219918 0.007169
C -2.508007 1.229357 0.107532
C -3.210892 0.013888 0.076618
C 1.828368 -0.294103 -1.291663
C 1.921183 0.194801 1.104051
C 3.229395 -0.286887 -1.349616
C 3.329608 0.165552 1.063410
C 3.988167 -0.065133 -0.171064
C 6.214369 0.130276 0.842683
H -3.104797 -2.157863 0.012788
H -3.043651 2.181831 0.137524
H 1.255351 -0.482193 -2.203646
H 1.420458 0.392389 2.055930
H 3.758710 -0.463028 -2.290122
H 3.892417 0.337041 1.984838
H 6.044462 -0.650628 1.608306
H 6.032100 1.130995 1.278555
H 7.247115 0.068404 0.471396


