%chk=000291124.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291124

0 1
O 1.456951 -1.424340 -1.094149
O 1.984568 1.707679 -0.099534
O 3.192359 0.122289 -1.254702
O 0.640593 -3.614660 0.915283
O -1.956672 1.064535 1.800517
O -5.013629 0.158542 -1.381773
N -1.237100 0.069517 -0.147378
N -3.584992 0.583875 0.220220
N -3.876454 0.148151 -1.026598
C 1.014158 0.917336 -0.787632
C 0.182975 0.101782 0.247551
C 1.834643 -0.140918 -1.584391
C 0.837114 -1.307590 0.221744
C 3.308168 1.086214 -0.173193
C -0.086551 -2.519698 0.354745
C 3.624035 0.386408 1.130750
C 4.286846 2.153329 -0.609279
C -2.203750 0.605975 0.701944
C -4.621288 1.075396 1.172629
H 0.421802 1.630827 -1.387767
H 0.286191 0.573290 1.266850
H 1.780060 -0.210032 -2.681743
H 1.672167 -1.357631 0.970386
H -0.516600 -2.813968 -0.620539
H -0.893120 -2.348590 1.095596
H -1.466299 -0.318717 -1.061997
H 3.400009 1.031519 1.990636
H 3.039877 -0.542647 1.247878
H 4.682482 0.100341 1.186665
H 4.577489 2.805492 0.223326
H 5.196078 1.701468 -1.030068
H 3.851055 2.794581 -1.389239
H 1.331976 -3.918842 0.283600
H -5.139422 0.225655 1.648104
H -5.369332 1.687098 0.639151
H -4.163384 1.692033 1.969106


%chk=000291124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291124

0 1
O 1.100145 -1.424416 -0.959704
O 2.223182 1.145858 0.696908
O 3.075372 -0.024512 -1.168277
O 0.652372 -3.869915 0.573309
O -2.216813 1.279176 1.864744
O -4.724359 -0.025174 -1.764212
N -1.281840 0.046648 0.098629
N -3.574378 0.647029 0.044517
N -3.586102 -0.017059 -1.182885
C 1.065133 0.864097 -0.163367
C 0.074355 -0.012785 0.653551
C 1.622173 -0.095368 -1.274253
C 0.712107 -1.412406 0.491727
C 3.456617 0.961305 -0.110607
C -0.144005 -2.651962 0.734299
C 4.525631 0.347070 0.785381
C 3.866200 2.280112 -0.779055
C -2.302311 0.690761 0.753765
C -4.780240 1.276178 0.607332
H 0.604561 1.791800 -0.545665
H 0.040858 0.331400 1.699236
H 1.332161 0.109430 -2.315881
H 1.631026 -1.464657 1.106701
H -1.020237 -2.654685 0.053846
H -0.501851 -2.668799 1.777333
H -1.494645 -0.395889 -0.802267
H 4.766373 1.034578 1.613880
H 4.167008 -0.607539 1.202880
H 5.442169 0.157718 0.202066
H 4.142431 3.024647 -0.012896
H 4.729994 2.112486 -1.444653
H 3.035924 2.686720 -1.382655
H 1.064385 -3.845189 -0.328805
H -5.570893 0.518489 0.743712
H -5.160037 2.048430 -0.083500
H -4.499463 1.722121 1.571564


