%chk=000239714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239714

0 1
Cl -6.954018 -1.720569 -0.000690
S 3.110507 1.995708 -0.000154
N 1.931960 -0.379770 0.000099
N 0.423466 1.566702 0.000426
N -0.725525 0.824183 0.000505
C 4.137970 0.581582 -0.000337
C 3.336248 -0.595495 -0.000170
C 1.646038 0.900690 0.000146
C 5.524926 0.517183 -0.000601
C 3.947061 -1.857848 -0.000277
C 6.121690 -0.747107 -0.000707
C 5.340491 -1.915903 -0.000547
C -3.112820 0.633410 0.000269
C -4.351934 1.301853 0.000556
C -3.078521 -0.773347 -0.000339
C -1.878035 1.441316 0.000607
C -5.544245 0.576250 0.000264
C -4.266313 -1.506944 -0.000635
C -5.481892 -0.819558 -0.000327
H 6.132913 1.420276 -0.000727
H 3.334129 -2.758851 -0.000152
H 7.207638 -0.829674 -0.000917
H 5.836222 -2.887486 -0.000635
H 0.421718 2.593521 0.000331
H -4.389795 2.390610 0.001019
H -2.114977 -1.294459 -0.000562
H -2.028493 2.530907 0.000449
H -6.506222 1.088215 0.000497
H -4.243886 -2.597096 -0.001092


%chk=000239714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239714

0 1
Cl -7.154893 -1.699569 -0.000199
S 3.150063 2.107484 0.000260
N 1.979104 -0.352403 -0.000285
N 0.430918 1.508948 0.000178
N -0.708692 0.733317 0.000033
C 4.190598 0.613866 -0.000121
C 3.372037 -0.566579 -0.000371
C 1.688464 0.925363 0.000019
C 5.594840 0.541724 -0.000178
C 3.992273 -1.837727 -0.000682
C 6.195329 -0.739810 -0.000491
C 5.400095 -1.915750 -0.000740
C -3.128252 0.607526 0.000112
C -4.365317 1.309849 0.000335
C -3.146125 -0.818334 -0.000209
C -1.870803 1.359599 0.000211
C -5.593857 0.616975 0.000243
C -4.364960 -1.519734 -0.000303
C -5.575247 -0.791358 -0.000076
H 6.213675 1.444340 0.000013
H 3.364657 -2.733626 -0.000871
H 7.287632 -0.819145 -0.000540
H 5.886657 -2.896939 -0.000980
H 0.373669 2.538102 0.000417
H -4.371201 2.406755 0.000580
H -2.193440 -1.356709 -0.000382
H -1.946228 2.466948 0.000462
H -6.544146 1.158822 0.000417
H -4.380549 -2.613636 -0.000552


