%chk=000257003.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257003

0 1
O 0.244192 -2.248092 -1.151629
O -2.003464 -1.011375 -1.474822
O -2.040034 -0.660887 1.634730
O 3.648876 -1.071819 0.770973
O -4.162374 0.609106 1.225199
O 0.635931 2.113552 0.083943
N 1.825028 0.340735 -0.706530
C -0.015037 -1.290599 -0.127531
C -1.118165 -0.314361 -0.598388
C 1.288936 -0.579601 0.324128
C -1.849200 0.318608 0.609943
C 2.350729 -1.656948 0.646712
C -3.207606 0.924157 0.204210
C 1.512442 1.704729 -0.665705
C 2.266812 2.570397 -1.629729
H -0.393423 -1.930584 0.714280
H -0.730710 0.494780 -1.263830
H 1.041663 0.017819 1.248506
H -1.170253 1.073074 1.087221
H 2.093573 -2.212936 1.564548
H 2.474252 -2.375020 -0.192740
H 2.632790 -0.002754 -1.226623
H -3.634508 0.435843 -0.698503
H -3.153397 2.012827 0.045878
H 0.242818 -1.822393 -2.039922
H -2.258923 -1.884518 -1.096401
H -2.974705 -1.004782 1.615689
H 3.689577 -0.483131 1.552938
H -3.933802 1.080139 2.059073
H 1.898167 3.608845 -1.572850
H 3.342882 2.601046 -1.409078
H 2.149233 2.245240 -2.672491


%chk=000257003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257003

0 1
O 0.615328 -2.199348 -1.421057
O -1.992342 -1.505002 -1.429238
O -2.708707 -1.166900 1.066555
O 3.694068 -0.813112 1.110780
O -3.762190 1.340213 1.263318
O 0.496042 2.110229 0.316403
N 1.749269 0.421883 -0.672159
C 0.144181 -1.465657 -0.241849
C -1.096575 -0.630994 -0.646910
C 1.334126 -0.622939 0.276363
C -1.871702 -0.057912 0.557486
C 2.528507 -1.547766 0.608398
C -2.783452 1.119637 0.170375
C 1.344719 1.736600 -0.561750
C 1.982852 2.704363 -1.553097
H -0.162016 -2.179367 0.557336
H -0.786245 0.174349 -1.333638
H 1.009059 -0.093523 1.193771
H -1.169199 0.273095 1.345807
H 2.191617 -2.321441 1.329632
H 2.878642 -2.057666 -0.302670
H 2.411505 0.153121 -1.402070
H -3.396768 0.865614 -0.709904
H -2.177876 2.022088 -0.028165
H -0.214075 -2.457177 -1.914046
H -2.614300 -1.897726 -0.747640
H -3.490150 -0.731756 1.508863
H 3.447281 -0.337779 1.944522
H -3.348988 1.905037 1.963859
H 1.423398 3.651407 -1.543380
H 3.029258 2.912913 -1.264601
H 1.987029 2.296611 -2.580097


