%chk=000238856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238856

0 1
Cl 7.682028 1.426119 0.282799
S 1.089170 0.385209 -0.138044
N -3.871521 0.814772 -0.417559
N -1.823413 1.867614 -0.328188
N -3.086851 -1.554636 -0.268456
N -0.606448 -1.685905 -0.131826
N -1.969450 -3.621289 -0.009810
C -5.336286 0.646742 -0.422567
C -2.918506 -0.196165 -0.305665
C -5.919264 0.841405 0.987462
C -1.633449 0.478319 -0.261967
C -3.143198 2.054083 -0.409280
C -0.493143 -0.346469 -0.176388
C -7.437835 0.714502 0.967258
C 2.223631 -1.037367 -0.012889
C -1.898047 -2.243806 -0.158489
C 3.578149 -0.419928 0.060164
C 4.135003 -0.085844 1.306937
C 4.303697 -0.168554 -1.117266
C 5.406257 0.487272 1.381966
C 5.575852 0.404186 -1.054380
C 6.107920 0.721746 0.197288
H -5.778901 1.373637 -1.139926
H -5.576333 -0.377296 -0.801172
H -5.622956 1.828507 1.394062
H -5.482871 0.089771 1.678557
H -3.651959 3.005256 -0.476271
H -7.905878 1.468160 0.323501
H -7.854724 0.844695 1.974203
H -7.760080 -0.272045 0.611781
H 2.096655 -1.711650 -0.883875
H 1.975606 -1.653807 0.875617
H 3.572079 -0.269004 2.222882
H 3.872368 -0.416042 -2.087723
H 5.841754 0.748913 2.346173
H 6.141794 0.601898 -1.964520
H -2.844236 -4.083791 -0.209866
H -1.126812 -4.164207 -0.125323


%chk=000238856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238856

0 1
Cl 8.079940 0.926976 0.251080
S 1.072843 0.727933 -0.187966
N -3.963153 0.957006 -0.463776
N -1.962613 2.098623 -0.478380
N -3.119062 -1.349170 -0.185752
N -0.656473 -1.416958 -0.064867
N -1.943866 -3.368017 0.061930
C -5.414246 0.701989 -0.452329
C -2.965312 -0.005798 -0.312712
C -5.993911 0.618009 0.978644
C -1.729885 0.717722 -0.327274
C -3.299751 2.197984 -0.552483
C -0.557264 -0.069635 -0.192416
C -7.511643 0.340869 0.959834
C 2.184891 -0.823782 0.007004
C -1.914848 -1.996562 -0.067935
C 3.628106 -0.390003 0.065773
C 4.252584 -0.119874 1.310981
C 4.390399 -0.242901 -1.122253
C 5.605243 0.280621 1.378480
C 5.743925 0.157218 -1.076475
C 6.330041 0.412405 0.178336
H -5.909613 1.508686 -1.024087
H -5.590503 -0.250959 -0.983558
H -5.785939 1.565117 1.512922
H -5.467585 -0.185817 1.526023
H -3.847919 3.129994 -0.677243
H -8.062266 1.139707 0.427941
H -7.913454 0.283489 1.986877
H -7.736837 -0.618332 0.457235
H 1.964112 -1.471705 -0.854523
H 1.849548 -1.331057 0.923781
H 3.677412 -0.220283 2.238480
H 3.922799 -0.439300 -2.093805
H 6.083018 0.485298 2.340787
H 6.328268 0.267852 -1.994267
H -2.839050 -3.847976 0.064012
H -1.068134 -3.874367 0.151183


