%chk=000281822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281822

0 1
O 2.158545 0.861461 2.300067
O 0.968878 -2.549816 -0.323549
O -0.638919 2.006688 -2.008011
O -2.013420 -1.790695 1.539882
O 3.193934 -3.014574 -0.662391
N 4.281108 0.861187 0.085533
N 1.273222 1.163306 0.054957
N -3.998414 -0.541722 0.371951
N 1.679506 -2.917139 -2.427996
C 3.250573 -0.199726 0.308910
C 1.980700 0.230322 1.051725
C 3.323093 0.566287 -1.020575
C 2.158429 1.561886 -1.081659
C 0.887894 -0.842654 1.429932
C -0.023049 0.708918 -0.129869
C -0.337075 -0.332263 0.711201
C 1.182274 -2.303565 1.104343
C -1.030215 1.281020 -1.111826
C -1.667540 -0.846907 0.850475
C 2.949596 2.069859 2.385124
C -2.411677 0.863810 -0.897990
C -2.753775 -0.093462 0.031042
C -3.393051 1.551347 -1.794250
C 2.065761 -2.860956 -1.093962
C -5.292091 -0.012566 -0.125391
C -6.440317 -0.588863 0.696297
H 3.549287 -1.249793 0.429228
H 3.639817 0.117436 -1.961444
H 5.226935 0.494087 -0.050402
H 2.503142 2.607134 -0.908803
H 1.619327 1.543449 -2.053674
H 0.735136 -0.766738 2.545776
H 0.407398 -2.962546 1.554675
H 2.195474 -2.625506 1.403345
H 2.704459 2.762677 1.576662
H 4.011372 1.805955 2.366988
H 2.646781 2.469132 3.359551
H -4.091586 2.180401 -1.228845
H -3.958597 0.836436 -2.403413
H -2.876492 2.221966 -2.505405
H -4.055860 -1.320414 1.043484
H -5.289743 1.101850 -0.057712
H -5.413208 -0.278947 -1.201929
H 0.697190 -2.890962 -2.666109
H 2.287079 -3.389544 -3.083066
H -6.498934 -1.682599 0.623484
H -6.357310 -0.332588 1.761127
H -7.402736 -0.192768 0.346009


%chk=000281822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281822

0 1
O 2.103294 0.869596 2.312501
O 1.116512 -2.448258 -0.576263
O -0.573010 2.281065 -1.814574
O -2.130236 -1.731317 1.635878
O 3.281780 -3.405487 -0.600699
N 4.303800 0.830476 0.212958
N 1.316715 0.983821 -0.031549
N -4.020245 -0.438359 0.388123
N 2.020174 -3.086349 -2.552874
C 3.283789 -0.293394 0.390852
C 1.967036 0.144310 1.046106
C 3.422000 0.404187 -0.950344
C 2.222973 1.342657 -1.155521
C 0.882073 -0.941154 1.393991
C -0.029492 0.710520 -0.075599
C -0.372841 -0.321890 0.791136
C 1.112933 -2.383740 0.911077
C -1.009561 1.405820 -0.973564
C -1.725652 -0.742115 0.911485
C 2.537901 2.282446 2.263924
C -2.413640 1.037026 -0.841145
C -2.774966 0.036547 0.079869
C -3.376095 1.786625 -1.750494
C 2.238777 -3.023373 -1.194099
C -5.354007 -0.041279 -0.089017
C -6.433665 -0.581946 0.865597
H 3.645885 -1.313622 0.538914
H 3.866326 -0.100523 -1.812993
H 5.257413 0.427542 0.130872
H 2.529618 2.401257 -1.098164
H 1.707059 1.181772 -2.114879
H 0.832718 -0.983364 2.497452
H 0.262907 -3.005079 1.238338
H 2.060406 -2.807260 1.288314
H 1.824953 2.886128 1.670421
H 3.549716 2.370267 1.839185
H 2.513604 2.610416 3.315417
H -3.937676 2.574871 -1.213379
H -4.103541 1.121004 -2.244806
H -2.784639 2.293871 -2.530717
H -3.963060 -1.227492 1.058784
H -5.415967 1.058423 -0.145571
H -5.532492 -0.434078 -1.110844
H 1.128134 -2.789895 -2.942342
H 2.733258 -3.504808 -3.143184
H -6.396892 -1.685472 0.927613
H -6.303863 -0.172668 1.883099
H -7.437316 -0.298423 0.504215


