%chk=000276556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276556

0 1
O 2.952445 -1.683770 0.694882
O 2.588683 -1.106016 -1.468018
N 0.545368 2.093772 -0.808278
N -1.786424 1.348025 -0.609223
N -0.625203 -1.070968 0.509745
C 1.860811 1.574380 -0.259656
C 1.578344 0.173659 0.377955
C 2.383166 2.633730 0.731330
C 0.412947 3.539922 -0.464824
C 1.380728 3.804681 0.706404
C -0.482066 1.197885 -0.414310
C 0.099075 -0.030718 0.179412
C 2.395497 -0.914279 -0.294095
C -2.575086 0.235670 -0.274753
C -2.005686 -0.959111 0.267048
C -3.983782 0.307103 -0.482732
C -2.849944 -2.061936 0.585591
C 3.760349 -2.840275 0.299700
C -4.773104 -0.774458 -0.164738
C -4.205810 -1.963679 0.370895
C 5.125162 -2.383718 -0.169726
H 2.546205 1.467906 -1.138938
H 1.807324 0.171599 1.478458
H 3.391403 2.973435 0.434089
H 2.489169 2.229493 1.752789
H -0.635796 3.812267 -0.228333
H 0.702928 4.115022 -1.372038
H 0.830103 3.866284 1.662002
H 1.897031 4.771501 0.583752
H -4.402035 1.225351 -0.898372
H -2.394451 -2.965767 0.994381
H 3.787904 -3.403057 1.251018
H 3.207889 -3.402503 -0.474163
H -5.851485 -0.734302 -0.322027
H -4.864718 -2.798413 0.607655
H 5.796256 -3.234992 -0.336186
H 5.054108 -1.831671 -1.119665
H 5.603696 -1.718450 0.559569


%chk=000276556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276556

0 1
O 2.856661 -1.725020 0.673742
O 2.792976 -0.906621 -1.513156
N 0.432989 2.197511 -0.634556
N -1.861256 1.399450 -0.501949
N -0.579898 -1.083933 0.374651
C 1.812021 1.667331 -0.380404
C 1.595786 0.272241 0.299385
C 2.516199 2.799927 0.433721
C 0.347454 3.644489 -0.382208
C 1.401860 3.850650 0.744971
C -0.533299 1.246778 -0.377123
C 0.096489 0.016696 0.088435
C 2.470936 -0.818853 -0.305482
C -2.603449 0.247308 -0.212840
C -1.974087 -0.997220 0.195800
C -4.024106 0.288793 -0.333607
C -2.774510 -2.144612 0.454182
C 3.654274 -2.908172 0.215407
C -4.791104 -0.855228 -0.074664
C -4.168025 -2.078482 0.318995
C 5.147580 -2.572895 0.179924
H 2.322649 1.498806 -1.346827
H 1.794194 0.307290 1.386734
H 3.317437 3.256176 -0.174074
H 2.982315 2.411771 1.356005
H -0.682742 3.908688 -0.091146
H 0.614298 4.217859 -1.290548
H 0.934699 3.637636 1.723666
H 1.794952 4.881182 0.771393
H -4.483420 1.232997 -0.642424
H -2.265748 -3.064238 0.760507
H 3.417545 -3.680315 0.964125
H 3.284427 -3.213349 -0.778792
H -5.881370 -0.813040 -0.176513
H -4.782413 -2.963214 0.516898
H 5.725831 -3.480052 -0.076171
H 5.358576 -1.804551 -0.582507
H 5.494279 -2.210181 1.163053


