%chk=000186543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186543

0 1
S 2.173269 -1.843527 -1.453527
S -1.802465 -0.973980 1.580301
P -0.022319 0.333147 -0.763818
O -0.169518 0.624210 -2.226713
N 0.251106 1.715363 0.295586
C 1.556960 2.397852 0.018914
C -0.916159 2.646752 0.340589
C 1.363973 -0.809786 -0.336812
C -1.511794 -0.498866 -0.052602
C 2.017161 3.146423 1.272820
C -1.234815 3.396768 -0.953815
C 1.877596 -0.963725 0.917550
C -2.562843 -0.846261 -0.846544
C 2.942298 -1.936548 0.973969
C -3.624485 -1.508328 -0.120475
C 3.214295 -2.501459 -0.238645
C -3.356698 -1.650908 1.208011
H 2.335097 1.644205 -0.248567
H 1.496540 3.107619 -0.839479
H -1.811635 2.075049 0.682231
H -0.711777 3.385014 1.152744
H 1.372140 4.003745 1.495834
H 1.996921 2.491259 2.153242
H 3.039783 3.519028 1.152831
H -0.414196 4.057045 -1.257094
H -1.415502 2.721457 -1.806121
H -2.131075 4.014567 -0.838859
H 1.558053 -0.428410 1.806847
H -2.639161 -0.666058 -1.917399
H 3.451374 -2.172700 1.897485
H -4.525724 -1.844869 -0.614039
H 3.952692 -3.248854 -0.473827
H -3.968091 -2.103421 1.969486


%chk=000186543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186543

0 1
S 2.315323 -1.638656 -1.595402
S -1.839565 -0.625188 1.704719
P -0.041930 0.281356 -0.826279
O -0.195263 0.322304 -2.433226
N 0.195320 1.769851 0.100342
C 1.539190 2.412625 0.081834
C -0.967331 2.703881 0.161583
C 1.402398 -0.748654 -0.320525
C -1.562308 -0.439679 -0.068795
C 1.965062 2.897198 1.481721
C -1.215010 3.522731 -1.128223
C 1.902450 -1.017432 0.947113
C -2.608271 -0.979282 -0.804073
C 3.021375 -1.925396 0.940720
C -3.655087 -1.542387 0.013672
C 3.367610 -2.350255 -0.334540
C -3.404315 -1.439637 1.373486
H 2.275064 1.674968 -0.285253
H 1.556760 3.259806 -0.634387
H -1.868181 2.109376 0.399138
H -0.800796 3.377848 1.022552
H 1.262334 3.646127 1.888796
H 2.008424 2.048800 2.186747
H 2.965522 3.366382 1.433610
H -0.364979 4.187773 -1.364824
H -1.371028 2.849260 -1.989339
H -2.113162 4.156482 -1.006316
H 1.479220 -0.577373 1.853729
H -2.604693 -0.963818 -1.896796
H 3.543833 -2.249787 1.843787
H -4.557107 -2.005774 -0.392597
H 4.164231 -3.029167 -0.635196
H -4.014087 -1.772479 2.212326


