%chk=000186231.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186231

0 1
S 2.801345 0.660023 -2.538676
N -5.516397 -0.484396 -0.210780
N 0.867797 0.165674 -0.148768
N 0.025719 0.057012 0.780230
N 4.471115 0.870082 -2.968745
C -4.140310 -0.247520 0.004405
C 3.140561 0.475741 -0.841525
C 4.534936 0.577691 -0.631013
C -3.607869 -0.231824 1.320567
C -3.244656 -0.148084 -1.093181
C 2.255572 0.258988 0.226338
C -1.356007 -0.041311 0.430098
C -2.239754 -0.136118 1.527676
C -1.877948 -0.051583 -0.881360
C 5.059406 0.460252 0.663434
C -6.453129 -0.195147 0.907063
C -6.085015 -0.115342 -1.534129
C 2.793985 0.143394 1.516166
C 4.181307 0.243669 1.723838
C 5.230551 0.804650 -1.905444
H -4.269132 -0.308862 2.180886
H -3.622678 -0.160029 -2.113372
H -1.836971 -0.129949 2.543446
H -1.194735 0.019974 -1.732419
H 6.131881 0.537117 0.831358
H -6.128495 -0.733361 1.816011
H -7.457967 -0.573181 0.654895
H -6.532601 0.877772 1.144972
H -5.501558 -0.597402 -2.339587
H -6.101169 0.971265 -1.716097
H -7.115672 -0.499310 -1.614197
H 2.127804 -0.026112 2.365335
H 4.570566 0.149198 2.737783
H 6.314717 0.911827 -1.958808


%chk=000186231-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186231

0 1
S 2.783854 0.553781 -2.635950
N -5.537964 -0.204353 -0.204826
N 0.857037 0.232841 -0.181326
N 0.028796 0.095709 0.832306
N 4.572372 0.712271 -3.050742
C -4.167253 -0.127705 0.024797
C 3.154942 0.445290 -0.878438
C 4.561977 0.526349 -0.653406
C -3.631366 -0.200167 1.354679
C -3.240635 0.025427 -1.066697
C 2.233360 0.299634 0.189269
C -1.340018 0.029344 0.486908
C -2.250332 -0.122241 1.570511
C -1.864867 0.101379 -0.840201
C 5.065103 0.459919 0.673103
C -6.467404 -0.366485 0.923622
C -6.069159 -0.120639 -1.574710
C 2.758459 0.235449 1.508367
C 4.153894 0.314805 1.740315
C 5.274426 0.672980 -1.912696
H -4.296696 -0.317399 2.213772
H -3.610501 0.082886 -2.094089
H -1.837994 -0.176873 2.583708
H -1.163602 0.217122 -1.672601
H 6.142901 0.520928 0.858557
H -6.267040 -1.300242 1.485577
H -7.499724 -0.412884 0.544394
H -6.401285 0.482464 1.633058
H -5.687782 -0.942161 -2.212641
H -5.805508 0.841345 -2.057040
H -7.167003 -0.195674 -1.545642
H 2.051004 0.123194 2.335595
H 4.529763 0.262296 2.768015
H 6.363443 0.756205 -1.999146


