%chk=000210352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210352

0 1
S 5.975918 0.988879 -0.897482
S 6.699223 -0.823856 -0.248659
O -7.725256 -0.993926 -1.190739
O 5.498311 -1.790509 -0.913757
O 7.889533 -1.152256 -0.958305
O 6.563321 -0.919179 1.163598
N 2.153501 0.753618 0.472866
C -0.280421 0.532712 0.840133
C -1.629892 0.180504 0.204756
C 0.870488 0.304252 -0.153036
C -2.788380 0.407668 1.189328
C -4.106137 0.060963 0.552883
C 3.331903 0.455295 -0.400305
C 4.516531 1.236492 0.164504
C -4.839731 1.039379 -0.132713
C -4.604848 -1.252720 0.633268
C -6.062487 0.727242 -0.733323
C -5.819400 -1.591140 0.044254
C -6.533314 -0.588156 -0.633647
H -0.122814 -0.067713 1.756527
H -0.276632 1.591575 1.171629
H -1.631899 -0.874024 -0.134083
H -1.793789 0.788655 -0.706720
H 0.707107 0.916377 -1.068511
H 0.892325 -0.758674 -0.477568
H -2.631402 -0.195732 2.106443
H -2.790167 1.461513 1.535136
H 2.276164 0.291083 1.381721
H 3.564592 -0.634377 -0.468928
H 3.106841 0.792219 -1.438446
H 4.304270 2.328986 0.171631
H 4.740002 0.961892 1.216648
H -4.456339 2.057293 -0.201666
H -4.034353 -2.016021 1.162581
H -6.627482 1.487733 -1.261007
H -6.223571 -2.599309 0.096036
H -8.189304 -0.254503 -1.651481
H 5.782789 -2.585235 -1.395366


%chk=000210352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210352

0 1
S 5.963644 1.131254 -1.169177
S 7.127272 -0.667657 0.089394
O -8.072789 -0.771497 -1.015832
O 6.854434 -2.027069 -1.154177
O 8.725867 -0.509580 0.281455
O 6.212245 -0.989118 1.393966
N 2.112424 0.510030 0.196024
C -0.327660 0.436090 0.686694
C -1.737716 0.140315 0.130621
C 0.781506 0.196530 -0.355905
C -2.854980 0.356485 1.188928
C -4.246681 0.087376 0.635248
C 3.272460 0.388064 -0.694228
C 4.461312 1.133523 -0.057900
C -5.025723 1.129688 0.074229
C -4.788296 -1.225923 0.624075
C -6.299491 0.879310 -0.483346
C -6.056429 -1.497074 0.073100
C -6.812217 -0.439712 -0.483145
H -0.142604 -0.205552 1.574736
H -0.269607 1.485864 1.035248
H -1.788003 -0.903589 -0.239332
H -1.939904 0.791170 -0.743737
H 0.614558 0.848898 -1.236364
H 0.720395 -0.856860 -0.725192
H -2.654576 -0.307021 2.053673
H -2.789422 1.396805 1.564193
H 2.270400 0.126967 1.137025
H 3.574768 -0.663561 -0.907447
H 3.012034 0.851556 -1.664966
H 4.215710 2.187173 0.169449
H 4.763879 0.639215 0.889960
H -4.636140 2.155190 0.076492
H -4.210219 -2.050225 1.060131
H -6.887411 1.703982 -0.907878
H -6.476486 -2.507276 0.068550
H -8.524823 0.031978 -1.374630
H 7.563469 -2.718749 -0.991733


