%chk=000188098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188098

0 1
N -3.830439 -0.564615 -0.781794
C 0.780883 -0.002669 -0.199553
C -0.387763 -0.488717 -0.898069
C -1.489591 0.333065 -1.066261
C 0.813477 1.306753 0.304552
C 1.918797 -0.874548 -0.011681
C -1.464288 1.687443 -0.579741
C -0.322137 2.172343 0.109263
C 1.904180 -2.210253 -0.519737
C 3.064210 -0.409133 0.683079
C -2.749843 -0.180621 -1.732660
C -0.348036 -1.857694 -1.409496
C 1.992447 1.755752 1.008199
C 0.718570 -2.664846 -1.235189
C 3.066477 0.942001 1.190852
C -2.570130 2.577112 -0.778227
C -0.324242 3.518323 0.595523
C 3.008555 -3.038125 -0.327590
C 4.171438 -1.272464 0.862986
C 4.138937 -2.564933 0.364087
C -3.528467 -1.828296 -0.037772
C -2.543883 3.864371 -0.302935
C -1.403641 4.342886 0.399835
C -4.632881 -2.078208 1.002977
C -4.413545 -3.400762 1.731278
H -3.175727 0.597266 -2.411633
H -2.528109 -1.048483 -2.397502
H -1.229727 -2.205206 -1.956695
H 1.997842 2.778090 1.393676
H 0.731010 -3.682334 -1.626107
H 3.952118 1.287961 1.722675
H -3.442749 2.220040 -1.328680
H 0.556872 3.881187 1.128742
H 3.004984 -4.056714 -0.711628
H 5.048518 -0.910927 1.397019
H -3.981581 0.199397 -0.111061
H 4.992699 -3.227450 0.504053
H -3.510244 -2.660787 -0.774683
H -2.532090 -1.815242 0.456494
H -3.387918 4.534825 -0.457772
H -1.402804 5.365984 0.772038
H -4.666203 -1.247111 1.734072
H -5.622183 -2.078952 0.501018
H -4.427919 -4.251266 1.039925
H -3.451838 -3.420258 2.257219
H -5.197737 -3.573987 2.477409


%chk=000188098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188098

0 1
N -3.842790 -0.581552 -0.760526
C 0.858087 -0.002572 -0.189985
C -0.339228 -0.514460 -0.851992
C -1.472550 0.320327 -1.035065
C 0.897883 1.346971 0.293189
C 2.010447 -0.857583 -0.024273
C -1.442984 1.681574 -0.544614
C -0.264646 2.201867 0.123190
C 1.992982 -2.218170 -0.503125
C 3.201094 -0.363439 0.623267
C -2.756681 -0.188720 -1.701813
C -0.312392 -1.895944 -1.309348
C 2.101638 1.811218 0.938602
C 0.792131 -2.704378 -1.147132
C 3.208731 0.994189 1.098541
C -2.577192 2.556826 -0.696578
C -0.284126 3.556121 0.592622
C 3.135100 -3.040289 -0.333736
C 4.331006 -1.219785 0.775173
C 4.297084 -2.542980 0.301058
C -3.631970 -1.831151 0.005875
C -2.562929 3.869777 -0.225667
C -1.401555 4.377075 0.428418
C -4.856485 -2.135801 0.892004
C -4.691327 -3.444546 1.694007
H -3.159521 0.588239 -2.375688
H -2.553188 -1.057460 -2.347938
H -1.197722 -2.313027 -1.794635
H 2.152649 2.836353 1.314313
H 0.774877 -3.740466 -1.505219
H 4.110236 1.375438 1.592101
H -3.477469 2.195970 -1.202328
H 0.594043 3.968437 1.096482
H 3.108741 -4.072391 -0.702182
H 5.229908 -0.831289 1.267688
H -4.092760 0.196320 -0.132664
H 5.171568 -3.191090 0.423068
H -3.495712 -2.657974 -0.720596
H -2.715187 -1.810636 0.644335
H -3.441085 4.510867 -0.358999
H -1.386169 5.407437 0.799661
H -5.017900 -1.291065 1.594061
H -5.754081 -2.188191 0.247084
H -4.560354 -4.310703 1.018317
H -3.806841 -3.398476 2.356763
H -5.577060 -3.640671 2.324791


