%chk=000222706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222706

0 1
O 6.087700 -0.023054 -0.000298
O 5.244187 -2.013937 0.000697
N -0.044543 1.482030 -0.000732
N -1.156966 0.690759 -0.000412
N 5.141109 -0.796739 0.000492
N -4.541962 -1.819406 0.000585
C 1.226961 0.865964 -0.000211
C 3.791574 -0.222848 0.000224
C 2.356164 1.723760 0.000046
C 1.392977 -0.539041 -0.000201
C 3.630824 1.174673 0.000233
C 2.670258 -1.076920 0.000029
C -3.532312 0.391834 -0.000176
C -2.339740 1.250651 -0.000527
C -4.810734 0.978097 -0.000332
C -3.447483 -1.020616 0.000308
C -5.940767 0.159867 -0.000040
C -5.768077 -1.235051 0.000408
H 2.237339 2.804977 0.000087
H 0.517006 -1.192195 -0.000370
H 4.518845 1.818831 0.000391
H 2.822644 -2.163534 0.000064
H -0.101269 2.505643 -0.000235
H -2.539531 2.333158 -0.000591
H -4.922815 2.062175 -0.000689
H -2.473490 -1.530404 0.000468
H -6.939498 0.591182 -0.000151
H -6.626800 -1.917353 0.000632


%chk=000222706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222706

0 1
O 6.216610 0.125776 -0.000184
O 5.386996 -2.004068 -0.000072
N -0.041999 1.376412 -0.000236
N -1.152316 0.570459 -0.000228
N 5.233046 -0.718100 0.000481
N -4.702984 -1.829114 0.000342
C 1.249270 0.834241 -0.000066
C 3.861948 -0.183721 0.000293
C 2.362759 1.723664 -0.000137
C 1.461080 -0.574969 0.000186
C 3.669740 1.217225 0.000061
C 2.768125 -1.081137 0.000359
C -3.573833 0.354964 -0.000189
C -2.342334 1.144015 -0.000414
C -4.837065 1.008419 -0.000273
C -3.572916 -1.073445 0.000135
C -6.016324 0.236265 -0.000057
C -5.905952 -1.172871 0.000248
H 2.199631 2.808066 -0.000346
H 0.595632 -1.240494 0.000214
H 4.540710 1.877296 0.000017
H 2.961687 -2.156962 0.000532
H -0.142504 2.402955 -0.000470
H -2.457093 2.248062 -0.000502
H -4.889632 2.103959 -0.000507
H -2.621218 -1.615257 0.000204
H -7.002087 0.710757 -0.000116
H -6.797377 -1.809894 0.000425


