%chk=000210623.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210623

0 1
O 0.750886 -3.592173 0.851374
O 2.241807 -0.391073 1.241229
O 3.197163 -2.395550 0.788813
N -2.080554 -0.289484 0.896738
N -1.270087 -0.990790 1.744507
N 3.145261 1.536603 -1.429717
C -0.432239 -1.115051 -0.390446
C -1.594502 -0.337172 -0.426074
C 0.408055 -1.396194 -1.578437
C -2.146002 0.313901 -1.640276
C -0.339050 -1.009459 -2.868965
C -1.055645 0.344319 -2.731722
C -0.261194 -1.504844 0.979642
C 0.852306 -2.337402 1.536536
C -3.245914 0.390253 1.402648
C 0.819898 -2.543043 3.043518
C 2.237558 -1.745972 1.135394
C -4.418309 0.427318 0.629125
C -3.194627 1.005738 2.666437
C 3.400604 0.345909 0.719539
C 2.771219 1.555917 0.017878
C 4.519611 2.100089 -1.646935
C 2.111560 2.185896 -2.285608
C -5.533982 1.109151 1.120951
C -4.323229 1.675189 3.141573
C -5.489574 1.734840 2.370661
C 5.074802 1.612612 -2.985903
C 1.832343 3.665709 -2.011122
H 0.691693 -2.470777 -1.601315
H 1.365485 -0.830948 -1.501607
H -2.501038 1.341668 -1.424157
H -3.028576 -0.253122 -2.006893
H -1.075846 -1.797831 -3.117615
H 0.373907 -0.974418 -3.713203
H -0.300267 1.127043 -2.479004
H -1.504010 0.638352 -3.697002
H 1.659378 -3.145512 3.404602
H 0.821331 -1.583650 3.580402
H -0.109864 -3.060683 3.331462
H 1.564700 -4.135885 0.993710
H -4.469343 -0.083763 -0.330792
H -2.285446 0.946817 3.268335
H 3.994951 0.608266 1.607328
H 3.982139 -0.309217 0.041419
H 3.051750 2.495358 0.536947
H 1.659072 1.468714 0.116519
H 5.181669 1.742103 -0.827884
H 4.539125 3.211041 -1.606944
H 1.162625 1.595386 -2.172379
H 2.429260 2.052065 -3.344251
H -6.446828 1.144938 0.526587
H -4.292805 2.153595 4.120611
H -6.364084 2.262668 2.746974
H 6.140205 1.846912 -3.078014
H 4.556037 2.068251 -3.836281
H 4.960726 0.523905 -3.084841
H 1.100925 4.065145 -2.722094
H 2.739645 4.273736 -2.103752
H 1.430123 3.827607 -1.005528


%chk=000210623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210623

0 1
O 1.326255 -3.183890 0.395482
O 2.209702 0.127362 1.698687
O 3.401468 -1.490490 0.507940
N -2.104964 -0.312355 0.656063
N -1.143537 -0.884681 1.501235
N 3.022508 1.600949 -0.837858
C -0.439388 -0.970661 -0.702938
C -1.693559 -0.346642 -0.684905
C 0.359760 -1.196874 -1.962576
C -2.388477 0.228803 -1.892113
C -0.508401 -0.908368 -3.216300
C -1.357717 0.376098 -3.044991
C -0.144307 -1.282863 0.665657
C 1.086669 -1.980692 1.211843
C -3.285754 0.233610 1.250462
C 0.934543 -2.385664 2.697235
C 2.350503 -1.084965 1.069964
C -4.495769 0.343825 0.519803
C -3.240146 0.647670 2.606690
C 3.346202 1.089336 1.611575
C 3.060797 2.146090 0.533472
C 4.365785 1.246702 -1.367109
C 2.158889 2.385833 -1.757448
C -5.640426 0.893652 1.137370
C -4.392424 1.185379 3.213809
C -5.597419 1.320305 2.483506
C 4.312168 0.402107 -2.652746
C 2.650287 3.815149 -2.114408
H 0.737930 -2.234962 -1.980773
H 1.252309 -0.537834 -1.957104
H -2.849544 1.208596 -1.661913
H -3.209419 -0.437448 -2.230300
H -1.188998 -1.764176 -3.399875
H 0.140891 -0.816742 -4.107602
H -0.687098 1.231595 -2.829461
H -1.894848 0.608806 -3.984000
H 1.864166 -2.864681 3.051560
H 0.699999 -1.511154 3.324129
H 0.108591 -3.109917 2.776112
H 2.298090 -3.184917 0.163206
H -4.561089 -0.023408 -0.506862
H -2.304732 0.529734 3.158622
H 3.386469 1.561787 2.607035
H 4.274469 0.524036 1.421486
H 3.827447 2.954377 0.666616
H 2.076829 2.599518 0.754816
H 4.873888 0.643365 -0.593907
H 4.997787 2.155486 -1.536698
H 1.156449 2.448093 -1.291082
H 2.031974 1.803722 -2.688707
H -6.571957 0.971852 0.565758
H -4.348404 1.502991 4.261555
H -6.489284 1.742124 2.959058
H 5.331104 0.074664 -2.928464
H 3.899566 0.961809 -3.511656
H 3.694112 -0.496890 -2.483949
H 1.925000 4.307746 -2.788570
H 3.627026 3.793712 -2.631203
H 2.752834 4.446395 -1.212534


