%chk=000253779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253779

0 1
O 3.164849 -1.311074 0.190258
O 0.751412 0.424962 -2.303578
O 1.087903 0.544812 2.314369
O 2.202802 -3.097471 -0.816916
O -1.753497 -2.721654 1.426350
O -5.275060 0.115922 0.681865
N 0.899450 0.133254 0.015963
N -1.669406 -1.384644 -0.460391
N -3.534011 -1.300009 1.058424
N -3.975641 1.316896 -1.593038
C 0.779074 -1.327959 0.107848
C -0.326790 -1.901309 -0.815624
C 0.934557 0.893053 -1.208207
C 1.104392 0.967037 1.192443
C 1.186107 2.306436 -0.776009
C 1.284336 2.349951 0.643826
C 2.097947 -2.036271 -0.250075
C -2.228306 -0.331041 -1.207686
C 1.310556 3.449128 -1.536020
C 1.507372 3.535986 1.308729
C -2.274014 -1.865806 0.737460
C -3.442034 0.195604 -0.879977
C 1.541821 4.669302 -0.855552
C 1.637575 4.711635 0.529971
C -4.188784 -0.275706 0.308924
C 4.506330 -1.882909 0.005525
C 4.751055 -2.951128 1.047457
H 0.542401 -1.593434 1.189897
H -0.101419 -1.671735 -1.886992
H -0.326565 -3.019857 -0.716189
H -1.645931 0.021299 -2.072774
H 1.232912 3.421505 -2.623990
H 1.580706 3.574896 2.396839
H 1.642959 5.586775 -1.438579
H 1.814150 5.662384 1.036862
H -3.999394 -1.656046 1.907521
H 4.584264 -2.263330 -1.028307
H 5.127663 -0.979404 0.146136
H -4.863141 1.630373 -1.194977
H -4.110384 1.116317 -2.580439
H 5.797921 -3.278110 1.050122
H 4.510872 -2.593766 2.058262
H 4.129592 -3.841164 0.863870


%chk=000253779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253779

0 1
O 3.155626 -1.324842 -0.038700
O 1.073786 0.296119 -2.268882
O 0.810321 0.461612 2.429837
O 2.098396 -3.331527 -0.594429
O -1.858504 -2.612254 1.599873
O -5.311216 0.396358 0.566811
N 0.861616 0.038594 0.087190
N -1.708774 -1.356329 -0.381865
N -3.567233 -1.097200 1.041938
N -4.081781 1.197357 -1.767356
C 0.743304 -1.417029 0.162101
C -0.418027 -1.993157 -0.699294
C 1.065764 0.781833 -1.107199
C 0.927368 0.872470 1.252412
C 1.244378 2.203295 -0.674211
C 1.157604 2.257752 0.738337
C 2.050601 -2.141529 -0.210831
C -2.249654 -0.380989 -1.246128
C 1.464508 3.358739 -1.438622
C 1.286888 3.468428 1.434562
C -2.339446 -1.750274 0.805894
C -3.457249 0.238307 -0.983798
C 1.597995 4.589329 -0.744108
C 1.509800 4.643461 0.670338
C -4.197005 -0.122084 0.245066
C 4.495202 -1.944029 -0.316724
C 5.026369 -2.651581 0.931252
H 0.528417 -1.652959 1.225557
H -0.206409 -1.849311 -1.769536
H -0.479936 -3.070717 -0.481843
H -1.655000 -0.164851 -2.136798
H 1.532960 3.305618 -2.529629
H 1.217351 3.497625 2.526305
H 1.772472 5.512828 -1.306360
H 1.616219 5.607814 1.178311
H -4.046683 -1.368814 1.905929
H 4.384176 -2.641387 -1.165231
H 5.117171 -1.082875 -0.607402
H -4.977536 1.551136 -1.432826
H -3.696691 1.516787 -2.649442
H 6.048521 -3.025678 0.736151
H 5.069676 -1.959430 1.789422
H 4.391255 -3.512918 1.197527


