%chk=000208542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208542

0 1
Cl 4.533122 -1.471621 2.410191
S 0.414399 1.734719 -0.972722
O -0.655237 2.179386 -0.094684
O 1.094576 2.698520 -1.814315
N -3.260286 -0.846977 -0.381092
N -0.198631 0.561990 -2.066355
C -2.565605 0.139363 -1.266217
C -1.162985 -0.442881 -1.561358
C -4.179660 -1.731627 -1.172130
C -3.979887 -0.171216 0.750425
C -4.497591 -3.000166 -0.378594
C -2.978623 0.483031 1.702335
C 1.560854 0.843728 -0.031383
C 2.864623 0.671196 -0.507388
C 1.178057 0.308989 1.203810
C 3.796762 -0.048098 0.246630
C 2.096573 -0.413198 1.970023
C 3.392802 -0.580141 1.473852
H -2.460198 1.124394 -0.742001
H -3.108004 0.356779 -2.206358
H -1.237291 -1.264082 -2.308873
H -0.752974 -0.917504 -0.638852
H -5.121505 -1.220264 -1.467294
H -3.662313 -2.015928 -2.115396
H -4.717965 0.581700 0.397937
H -4.554169 -0.951378 1.299067
H -0.412229 0.875453 -3.020443
H -3.577068 -3.468679 -0.004429
H -5.125690 -2.791540 0.494935
H -5.020379 -3.732852 -1.001325
H -2.279244 -0.255486 2.108863
H -2.372693 1.254983 1.193301
H -3.489712 0.967570 2.539373
H 3.164230 1.105453 -1.468937
H 0.157421 0.461726 1.579118
H 4.815836 -0.188583 -0.114115
H 1.809683 -0.834861 2.933503


%chk=000208542-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208542

0 1
Cl 5.624500 -1.074440 2.112352
S 0.522634 1.606167 -0.791172
O -0.485132 2.055722 0.418792
O 1.043824 2.658449 -1.919360
N -3.623647 -0.799052 -0.419440
N -0.163543 0.180632 -1.787597
C -2.630098 0.075908 -1.077586
C -1.233930 -0.596293 -1.101833
C -4.318534 -1.718346 -1.358234
C -4.532974 -0.078585 0.511319
C -4.799156 -3.019772 -0.687316
C -3.822784 0.373550 1.801912
C 2.003135 0.796586 0.044732
C 3.140248 0.521136 -0.732696
C 1.920958 0.544618 1.423081
C 4.258136 -0.056830 -0.091907
C 3.041014 -0.035323 2.061209
C 4.184790 -0.328478 1.291279
H -2.540398 1.023479 -0.519287
H -2.929191 0.340923 -2.122855
H -1.277717 -1.571981 -1.624711
H -0.915363 -0.805309 -0.065413
H -5.181817 -1.212620 -1.861238
H -3.603447 -1.981445 -2.161271
H -5.010452 0.802949 0.013950
H -5.353176 -0.768789 0.780468
H -0.479391 0.634163 -2.668662
H -3.943051 -3.559064 -0.245690
H -5.527612 -2.821496 0.119349
H -5.291413 -3.677652 -1.427893
H -3.419438 -0.503417 2.338508
H -2.983758 1.061869 1.591935
H -4.531916 0.901052 2.467003
H 3.161746 0.758649 -1.800397
H 1.017608 0.812834 1.980313
H 5.165641 -0.288837 -0.655785
H 3.022705 -0.249056 3.133244


