%chk=000269349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269349

0 1
O -0.289899 1.345618 1.310578
O -4.691935 0.249088 0.552507
N 0.598369 -0.898875 -0.443159
N -3.080559 -1.094100 -0.394556
N -2.477614 0.813362 0.960169
N -1.407984 -2.586682 -1.267062
C 3.002161 -0.719487 -0.466363
C 3.841321 -1.211876 0.730996
C 3.703583 0.434863 -1.211818
C 4.288284 -0.070403 1.653412
C 4.150881 1.563241 -0.273567
C 5.021192 1.027499 0.871038
C 1.634085 -0.270217 0.011956
C -0.731280 -0.564328 -0.070981
C -1.720702 -1.403346 -0.597947
C -1.058595 0.574432 0.768478
C -3.503324 0.031702 0.407129
C -4.154984 -1.979376 -0.913105
C -2.902822 1.956831 1.814317
H 2.887517 -1.573981 -1.182400
H 4.731490 -1.744972 0.345103
H 3.262666 -1.957409 1.308877
H 3.029018 0.838868 -1.990401
H 4.583484 0.028906 -1.747042
H 4.943556 -0.468627 2.450259
H 3.409081 0.362129 2.170421
H 3.263882 2.081366 0.141684
H 4.708081 2.327309 -0.846783
H 5.298861 1.853676 1.551647
H 5.970990 0.629652 0.466056
H 1.640124 0.574756 0.721627
H -4.166164 -1.982211 -2.014629
H -5.146852 -1.602666 -0.575710
H -4.045143 -3.007080 -0.527143
H -3.195753 1.600996 2.816221
H -3.761291 2.482133 1.361360
H -2.061000 2.667478 1.926193
H -2.032771 -2.941175 -1.974126
H -0.415454 -2.730394 -1.474535


%chk=000269349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269349

0 1
O -0.366597 1.560204 1.205453
O -4.805481 0.121897 0.706325
N 0.548720 -0.812131 -0.447020
N -3.104857 -1.154633 -0.288849
N -2.588075 0.829740 0.943697
N -1.357521 -2.427930 -1.298459
C 2.987264 -0.630671 -0.565771
C 3.797682 -1.251090 0.619398
C 3.816291 0.512490 -1.228552
C 4.283783 -0.191805 1.637817
C 4.312972 1.569327 -0.210414
C 5.113143 0.912809 0.940048
C 1.627726 -0.143798 -0.111926
C -0.766310 -0.456512 -0.074819
C -1.754153 -1.349896 -0.556070
C -1.159735 0.691646 0.715389
C -3.571100 -0.042037 0.477542
C -4.120370 -2.099587 -0.791769
C -3.061800 1.986355 1.737210
H 2.807847 -1.428243 -1.313861
H 4.682177 -1.768548 0.191855
H 3.183770 -2.021890 1.123624
H 3.217632 0.997038 -2.024190
H 4.696888 0.052954 -1.723929
H 4.888250 -0.682835 2.425260
H 3.413344 0.268162 2.146774
H 3.450250 2.120837 0.213515
H 4.939750 2.319008 -0.731638
H 5.425229 1.680167 1.674656
H 6.041635 0.464001 0.528126
H 1.564031 0.768958 0.500904
H -4.115816 -2.133097 -1.896728
H -5.099160 -1.731824 -0.449947
H -3.953971 -3.112428 -0.381075
H -3.612003 1.636472 2.626049
H -3.739644 2.610261 1.131503
H -2.170583 2.558559 2.033163
H -1.988936 -3.120721 -1.685058
H -0.337770 -2.464509 -1.429533


