%chk=000256781.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256781

0 1
O -2.622760 1.395426 1.966211
N 2.543353 -0.532150 -1.003838
N -1.958045 0.231789 0.057399
N -0.628038 0.367959 0.347258
N -6.952854 0.126179 -0.354496
C 4.414812 0.248765 0.386649
C 3.906263 -0.425257 -0.761238
C 3.475059 0.822164 1.298325
C 5.829471 0.322042 0.575684
C 1.694573 0.018099 -0.126436
C 4.815685 -1.015191 -1.701949
C 2.130618 0.713031 1.052868
C 6.679201 -0.249668 -0.337440
C 6.166112 -0.924450 -1.486843
C 0.258121 -0.142610 -0.462215
C -4.313896 0.549903 0.476571
C -2.908296 0.800362 0.960550
C -5.000705 -0.593806 0.893308
C -4.941911 1.483529 -0.352492
C -6.325245 -0.766163 0.453638
C -6.268705 1.232019 -0.744703
H 3.844685 1.342223 2.182893
H 6.213215 0.838385 1.454783
H 4.399303 -1.525064 -2.571801
H 1.381782 1.137886 1.725898
H 7.758982 -0.199609 -0.202927
H 6.872786 -1.365911 -2.189577
H 0.066808 -0.697341 -1.396191
H -4.532891 -1.326101 1.549855
H -4.427819 2.387155 -0.677031
H -2.280827 -0.263739 -0.784027
H -6.913467 -1.643198 0.752688
H -6.812270 1.932443 -1.391674


%chk=000256781-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256781

0 1
O -2.754192 0.586022 2.306330
N 2.563410 -0.253230 -1.091515
N -1.934951 0.177800 0.140828
N -0.610990 0.251311 0.523625
N -7.046369 0.295654 -0.457900
C 4.476053 0.149686 0.446697
C 3.927917 -0.203648 -0.849572
C 3.547659 0.452598 1.500413
C 5.895196 0.181423 0.618946
C 1.725363 0.042682 -0.065725
C 4.820754 -0.513574 -1.925407
C 2.180586 0.401641 1.254235
C 6.744864 -0.124804 -0.448869
C 6.203605 -0.474352 -1.727511
C 0.295746 -0.024735 -0.390896
C -4.352234 0.359849 0.492391
C -2.961311 0.397279 1.079582
C -5.425040 0.035509 1.359361
C -4.658828 0.672409 -0.857578
C -6.738612 0.009494 0.844680
C -6.007537 0.628410 -1.279527
H 3.928500 0.721934 2.492379
H 6.308506 0.449001 1.598935
H 4.381306 -0.777395 -2.892228
H 1.435027 0.623075 2.022404
H 7.831327 -0.098913 -0.311457
H 6.882661 -0.711962 -2.553568
H 0.064388 -0.314643 -1.433690
H -5.219108 -0.180339 2.411803
H -3.889632 0.989256 -1.571280
H -2.186162 -0.096028 -0.821188
H -7.587560 -0.246281 1.487789
H -6.277244 0.873970 -2.312782


