%chk=000238861.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238861

0 1
O -3.547934 1.645043 0.002359
N -2.367314 -0.344385 0.000415
N -0.400576 -3.313724 -0.003544
C 1.392051 -0.293784 -0.000596
C 1.636170 1.103427 0.000889
C 0.031943 -0.767132 -0.000764
C -1.032680 0.144953 0.000554
C 0.526254 2.007692 0.002193
C -0.763065 1.551501 0.002042
C 2.508317 -1.188799 -0.001879
C 2.982322 1.583226 0.001059
C 3.792207 -0.700307 -0.001678
C 4.035876 0.702577 -0.000195
C -3.561658 0.434325 0.001297
C -0.201739 -2.172584 -0.002299
C -4.808487 -0.399711 0.000768
H 0.728561 3.081635 0.003327
H -1.604731 2.257949 0.003048
H 2.329325 -2.264596 -0.003020
H 3.153752 2.659466 0.002201
H -2.475482 -1.365578 -0.000475
H 4.644517 -1.380492 -0.002652
H 5.064688 1.058507 -0.000079
H -4.890716 -1.041877 -0.888025
H -5.697703 0.255573 0.001407
H -4.890497 -1.043307 0.888547


%chk=000238861-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238861

0 1
O -3.664029 1.678850 0.002814
N -2.371914 -0.290483 0.000284
N -0.588423 -3.287061 -0.003480
C 1.397532 -0.284896 -0.000595
C 1.667425 1.135147 0.000876
C 0.022648 -0.726799 -0.000752
C -1.050207 0.208483 0.000504
C 0.562338 2.048061 0.002107
C -0.760435 1.613554 0.001942
C 2.498706 -1.200061 -0.001829
C 3.024968 1.590622 0.001066
C 3.813688 -0.725735 -0.001611
C 4.082862 0.678687 -0.000154
C -3.587264 0.418545 0.001403
C -0.285322 -2.126642 -0.002200
C -4.813496 -0.490778 0.000751
H 0.770021 3.124471 0.003218
H -1.594865 2.315914 0.002896
H 2.301484 -2.277842 -0.002944
H 3.219922 2.669240 0.002192
H -2.455248 -1.313512 -0.000810
H 4.647976 -1.435409 -0.002563
H 5.118907 1.032973 -0.000003
H -4.829212 -1.139935 -0.894105
H -5.715964 0.136092 0.001695
H -4.828698 -1.141887 0.894197


