%chk=000218531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218531

0 1
O -2.893523 1.834763 -0.330501
N -1.925280 -0.229907 -0.422348
C 0.482228 0.222239 0.138198
C 1.731158 0.948301 -0.401164
C 0.791709 -1.220484 0.584001
C -0.634263 0.286514 -0.932238
C 2.762874 1.227493 0.700607
C 1.220344 -2.155426 -0.554351
C 3.984399 1.963462 0.154771
C 1.542465 -3.557584 -0.042427
C -2.974237 0.638504 -0.106813
C -4.193000 -0.023311 0.478242
H 0.117733 0.779192 1.039969
H 1.431626 1.907444 -0.868937
H 2.197594 0.352850 -1.209347
H 1.592459 -1.189673 1.351412
H -0.089405 -1.642870 1.102622
H -0.779199 1.345598 -1.262302
H -0.350581 -0.296698 -1.835196
H 3.079447 0.274810 1.170280
H 2.297399 1.825348 1.508928
H 0.424313 -2.211917 -1.322087
H 2.106754 -1.732577 -1.069380
H -1.948346 -1.209398 -0.167108
H 4.715542 2.158454 0.947348
H 4.491830 1.383656 -0.624353
H 3.711071 2.930752 -0.282679
H 1.847144 -4.217582 -0.862632
H 0.678681 -4.020405 0.447115
H 2.361894 -3.543295 0.685562
H -4.984278 0.729164 0.632561
H -4.609151 -0.794117 -0.182240
H -3.991000 -0.480803 1.454088


%chk=000218531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218531

0 1
O -2.771557 1.835276 0.120558
N -1.952722 -0.229121 -0.570130
C 0.450217 0.274977 0.087909
C 1.717411 0.992973 -0.451068
C 0.721634 -1.158408 0.625413
C -0.652500 0.305491 -1.008979
C 2.854841 1.153104 0.583568
C 1.311882 -2.164430 -0.392337
C 4.021129 2.013832 0.051194
C 1.517825 -3.565865 0.223793
C -2.931577 0.583332 -0.017385
C -4.217315 -0.124955 0.406587
H 0.062688 0.876827 0.936752
H 1.421135 2.002725 -0.804415
H 2.108348 0.458706 -1.342524
H 1.407563 -1.091661 1.493330
H -0.227130 -1.569946 1.029197
H -0.825753 1.355100 -1.307158
H -0.323837 -0.256379 -1.904057
H 3.241776 0.157462 0.877793
H 2.444530 1.614602 1.504964
H 0.646794 -2.250009 -1.275854
H 2.281876 -1.788157 -0.772797
H -2.121871 -1.232954 -0.638084
H 4.826439 2.114430 0.802020
H 4.462619 1.566003 -0.859558
H 3.674152 3.031013 -0.211237
H 1.938570 -4.275987 -0.511778
H 0.560912 -3.984401 0.590097
H 2.211213 -3.520498 1.084672
H -4.378247 0.035712 1.486723
H -5.070632 0.334146 -0.121477
H -4.214012 -1.210444 0.203871


