%chk=000231461.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231461

0 1
O 3.307015 0.223558 0.705161
O 2.832838 0.282547 -1.514432
O -2.959651 2.784387 -0.464186
O -0.879666 2.290247 -0.793035
N -2.038205 1.991761 -0.545285
N 0.896884 -1.455734 2.385905
C -1.333866 -0.421444 -0.409372
C -2.346102 0.558117 -0.335040
C -1.679195 -1.764347 -0.198555
C 0.060317 -0.061660 -0.727315
C -3.673703 0.200668 -0.049248
C -3.002232 -2.120003 0.080834
C -3.998546 -1.140275 0.155621
C 1.110777 -0.310807 0.078193
C 4.705466 0.601728 0.457957
C 2.482683 0.089774 -0.373836
C 5.478880 -0.595422 -0.047267
C 0.997020 -0.938863 1.356683
H -0.907299 -2.536185 -0.248779
H 0.210820 0.446748 -1.699118
H -4.442412 0.981484 0.011372
H -3.256274 -3.169986 0.246735
H -5.029160 -1.422328 0.378183
H 4.717385 1.452180 -0.246501
H 5.002464 0.922412 1.474427
H 6.555925 -0.389595 -0.083907
H 5.330697 -1.473967 0.595105
H 5.164142 -0.877493 -1.063502


%chk=000231461-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231461

0 1
O 3.471178 -0.081078 0.826436
O 2.688804 0.934437 -1.130420
O -3.294356 2.633841 -1.323600
O -1.134907 2.539858 -0.605030
N -2.287162 1.994965 -0.832459
N 1.008046 -1.655123 2.569800
C -1.347969 -0.275770 -0.198961
C -2.470268 0.560878 -0.488976
C -1.640210 -1.614256 0.189854
C 0.047994 0.156921 -0.385470
C -3.800829 0.098122 -0.414108
C -2.965132 -2.085389 0.281864
C -4.050712 -1.231867 -0.024792
C 1.139265 -0.212651 0.370426
C 4.874802 0.333057 0.498790
C 2.487345 0.280940 -0.079175
C 5.539484 -0.695980 -0.418637
C 1.065927 -0.996577 1.572184
H -0.812860 -2.299188 0.393343
H 0.277793 0.816222 -1.231377
H -4.612244 0.792245 -0.647176
H -3.148267 -3.120658 0.586436
H -5.080259 -1.595802 0.044944
H 4.842157 1.333278 0.032557
H 5.357803 0.385127 1.486819
H 6.599615 -0.421787 -0.571808
H 5.505411 -1.703368 0.030099
H 5.046551 -0.722894 -1.404764


