%chk=000180612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180612

0 1
S 3.605005 -0.077151 -0.598890
O -0.930299 -2.240577 -0.630956
N -0.106686 1.259238 -0.433614
N 1.153800 -1.219846 -0.663198
N 1.262468 1.201086 -0.581553
N 1.802808 -2.454794 -0.440282
C -2.371510 0.207266 -0.568162
C -0.896464 0.146092 -1.059450
C -2.458046 0.315670 0.966439
C -3.109621 1.353383 -1.264426
C -0.278246 -1.233015 -0.725271
C -3.847824 -0.034431 1.490164
C 1.846138 0.036233 -0.587979
C 4.114070 1.273303 0.480080
H -2.846947 -0.763666 -0.878067
H -0.892873 0.213189 -2.183473
H -2.171247 1.332921 1.296486
H -1.710229 -0.363302 1.425878
H -2.734005 2.336423 -0.962264
H -4.177121 1.333376 -1.005831
H -3.044066 1.284205 -2.355168
H -0.449546 2.184633 -0.739315
H -4.615910 0.639819 1.096387
H -3.882156 0.032428 2.583890
H -4.134619 -1.058098 1.219089
H 2.490513 -2.625774 -1.183551
H 2.301324 -2.450578 0.457487
H 3.781643 1.122016 1.514530
H 3.715280 2.239731 0.135373
H 5.211065 1.324122 0.463446


%chk=000180612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180612

0 1
S 3.785506 -0.178064 -0.310922
O -0.790408 -2.295703 -0.663504
N -0.014307 1.157569 0.017842
N 1.225152 -1.194659 -0.283013
N 1.400149 1.193292 -0.097323
N 1.946207 -2.418505 -0.179301
C -2.283586 0.228813 -0.558556
C -0.752461 0.185051 -0.824598
C -2.628570 -0.009900 0.936136
C -2.888458 1.544269 -1.108910
C -0.154809 -1.209028 -0.560253
C -4.141812 -0.173345 1.195973
C 1.973031 0.020662 -0.238174
C 4.239944 1.648418 -0.200203
H -2.700244 -0.619260 -1.138496
H -0.591623 0.391283 -1.916123
H -2.226441 0.822125 1.545884
H -2.108734 -0.926236 1.273512
H -2.600066 2.421208 -0.496037
H -3.990902 1.500666 -1.108379
H -2.564633 1.730697 -2.150341
H -0.385798 2.110350 -0.004625
H -4.704495 0.750542 0.968953
H -4.331329 -0.423075 2.255908
H -4.563374 -0.989389 0.578841
H 1.611586 -3.079858 -0.893512
H 1.858866 -2.813077 0.767801
H 3.859674 2.069831 0.740795
H 3.808127 2.193897 -1.051324
H 5.340506 1.675329 -0.230251


