%chk=000217553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217553

0 1
S 3.322046 2.210782 -0.602316
N 2.294064 -0.243541 -0.236325
C -1.508774 -0.155240 0.169275
C -0.142375 -0.754541 -0.258178
C -1.563067 1.358351 -0.137534
C -2.681970 -0.857267 -0.546723
C 1.011905 -0.077140 0.523908
C -2.902018 1.966115 0.299073
C -4.030328 -0.259072 -0.120787
C -4.080851 1.253200 -0.377848
C -0.067114 -2.287015 -0.086037
C 3.500598 -0.150188 0.642955
C 2.448517 0.737064 -1.321567
C -0.369509 -2.785798 1.324850
C 3.917047 1.309300 0.866663
H -1.631676 -0.298036 1.269428
H -0.005021 -0.544442 -1.349196
H -1.410890 1.528791 -1.219739
H -0.728380 1.879842 0.373337
H -2.673437 -1.940599 -0.324325
H -2.561239 -0.767517 -1.642379
H 0.774238 0.993415 0.725083
H 1.113632 -0.561184 1.519527
H -2.922183 3.044494 0.054828
H -3.004941 1.898988 1.398926
H -4.206652 -0.461331 0.952996
H -4.851017 -0.761297 -0.665766
H -5.036885 1.668430 -0.009869
H -4.059631 1.448094 -1.467118
H 0.953058 -2.614797 -0.380556
H -0.754751 -2.771359 -0.806029
H 4.316835 -0.712091 0.132123
H 3.317310 -0.673100 1.603674
H 3.086554 0.308048 -2.121273
H 1.489257 1.059835 -1.766460
H -1.402239 -2.569583 1.620928
H -0.226368 -3.869652 1.396721
H 0.289637 -2.317392 2.065425
H 3.460501 1.744807 1.771244
H 5.010017 1.424626 0.954660


%chk=000217553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217553

0 1
S 3.387633 2.258851 -0.574412
N 2.354807 -0.292687 -0.213098
C -1.514779 -0.087253 0.181979
C -0.144200 -0.688840 -0.277250
C -1.641848 1.417069 -0.198564
C -2.722477 -0.859263 -0.418769
C 1.049728 -0.035076 0.471599
C -2.996225 2.027171 0.235276
C -4.082765 -0.258693 0.010843
C -4.186302 1.238602 -0.356281
C -0.048338 -2.240171 -0.178438
C 3.540272 -0.217497 0.672635
C 2.617270 0.577091 -1.333297
C -0.306245 -2.836728 1.225609
C 3.858877 1.286764 0.984715
H -1.581486 -0.163578 1.291173
H -0.037477 -0.435203 -1.356204
H -1.540353 1.509332 -1.301883
H -0.819328 2.009968 0.243391
H -2.687526 -1.924585 -0.125509
H -2.644710 -0.831669 -1.527275
H 0.894416 1.058971 0.585436
H 1.119214 -0.461357 1.489398
H -3.045737 3.089670 -0.073338
H -3.064563 2.012787 1.343248
H -4.198759 -0.371454 1.109361
H -4.909717 -0.828303 -0.456882
H -5.145726 1.659037 0.003443
H -4.181884 1.345266 -1.461084
H 0.968159 -2.524855 -0.512926
H -0.752935 -2.697860 -0.898922
H 4.401954 -0.662291 0.141417
H 3.363293 -0.795473 1.595539
H 3.397303 0.174257 -1.995342
H 1.710422 0.847823 -1.890781
H -1.318227 -2.593123 1.597700
H -0.216080 -3.938266 1.199297
H 0.421474 -2.468082 1.972136
H 3.256952 1.663902 1.827658
H 4.929813 1.437743 1.194001


