%chk=000184414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184414

0 1
O 0.269231 2.106377 0.695254
O 0.831026 -3.552634 0.382672
O 1.465076 -1.943306 1.803562
N -0.334287 0.142091 -0.237539
N -1.103228 2.058786 0.729362
C 2.741640 -0.502812 -0.395908
C 2.149964 0.737034 -0.069498
C 1.927340 -1.743240 -0.617205
C 0.712305 0.895927 0.086527
C 4.137990 -0.579850 -0.524837
C 2.964639 1.871243 0.124404
C 4.934555 0.549702 -0.334393
C -1.481812 0.886215 0.177493
C 4.347724 1.778691 -0.009766
C -2.853618 0.404751 0.005151
C 1.420532 -2.335300 0.665193
C -3.932941 1.199065 0.432025
C -3.093586 -0.848888 -0.583922
C -5.240725 0.738229 0.267105
C -4.405496 -1.299908 -0.744085
C -5.478602 -0.509009 -0.320047
H 2.496567 -2.517504 -1.182586
H 1.045993 -1.529638 -1.282302
H 4.607111 -1.533386 -0.768544
H 2.501429 2.827659 0.385087
H 6.018120 0.474010 -0.435443
H 4.971008 2.659711 0.141729
H -3.748698 2.172495 0.891888
H -2.254705 -1.466007 -0.913492
H -6.076626 1.353289 0.598032
H -4.591673 -2.271107 -1.200526
H -6.500363 -0.864765 -0.446665
H 0.447510 -3.986821 1.190277


%chk=000184414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184414

0 1
O 0.293604 2.297950 0.469316
O 0.213413 -3.211801 0.056026
O 1.438628 -2.067168 1.660843
N -0.275646 0.182077 -0.130204
N -1.171522 2.229513 0.505637
C 2.727527 -0.465121 -0.441734
C 2.186333 0.799207 -0.041974
C 1.861107 -1.668531 -0.763390
C 0.745921 1.014873 0.076596
C 4.133368 -0.586778 -0.536987
C 3.057510 1.887748 0.246198
C 4.994452 0.494625 -0.250136
C -1.426457 0.944958 0.138283
C 4.452057 1.739225 0.143979
C -2.784430 0.392579 0.032394
C 1.183697 -2.278938 0.459228
C -3.922324 1.197367 0.309047
C -2.954312 -0.964587 -0.350937
C -5.215012 0.647271 0.202123
C -4.252243 -1.507283 -0.456652
C -5.384742 -0.705566 -0.181013
H 2.474513 -2.465393 -1.224845
H 1.056438 -1.421514 -1.475996
H 4.559347 -1.551267 -0.836611
H 2.625010 2.845259 0.551210
H 6.079080 0.365578 -0.331097
H 5.110209 2.584141 0.370676
H -3.782549 2.242312 0.604983
H -2.068325 -1.572649 -0.561703
H -6.090301 1.269974 0.416453
H -4.381282 -2.553348 -0.755300
H -6.391597 -1.129700 -0.264198
H -0.198073 -3.613916 0.868789


