%chk=000238857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238857

0 1
Cl -7.818114 -1.506400 -0.327376
S -1.256037 -0.338188 0.224685
N 3.698676 -0.671442 0.681799
N 1.668437 -1.758627 0.597389
N 2.885689 1.672979 0.359038
N 0.409579 1.755522 0.141785
N 1.747471 3.702612 -0.059152
C 5.841168 -0.693588 -0.667581
C 5.157655 -0.479229 0.708791
C 2.737074 0.315183 0.472971
C 5.267187 0.248788 -1.725685
C 5.754824 -2.152894 -1.120021
C 1.462584 -0.380107 0.434359
C 2.988504 -1.918527 0.730476
C 0.314021 0.419781 0.264692
C 1.691824 2.334227 0.173326
C -2.406174 1.056157 -0.019349
C -3.749053 0.414167 -0.095168
C -4.503665 0.215988 1.074142
C -4.265880 0.003609 -1.336315
C -5.765157 -0.379528 1.008315
C -5.526166 -0.592884 -1.414245
C -6.257296 -0.773420 -0.237985
H 6.923092 -0.436972 -0.517042
H 5.592352 -1.172961 1.463029
H 5.364139 0.561505 1.062638
H 5.869094 0.238438 -2.640011
H 4.242951 -0.027005 -2.007413
H 5.220821 1.285116 -1.365400
H 6.327147 -2.310608 -2.042587
H 6.152520 -2.841287 -0.368267
H 4.722010 -2.451815 -1.338224
H 3.506292 -2.855891 0.877886
H -2.139671 1.622415 -0.935470
H -2.315351 1.783059 0.812983
H -4.103282 0.522962 2.040868
H -3.680179 0.145337 -2.245271
H 2.605292 4.190662 0.154297
H 0.892871 4.235584 0.008932
H -6.353479 -0.536233 1.912222
H -5.930670 -0.913684 -2.374061


%chk=000238857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238857

0 1
Cl -8.252901 -1.098760 -0.309645
S -1.269176 -0.636741 0.215799
N 3.765380 -0.694095 0.601195
N 1.800892 -1.899591 0.585564
N 2.844954 1.584169 0.313348
N 0.385573 1.567748 0.133150
N 1.607519 3.562777 0.047750
C 5.987523 -0.595897 -0.647364
C 5.205640 -0.383268 0.680481
C 2.737754 0.235458 0.428538
C 5.414166 0.266932 -1.794582
C 6.068396 -2.086478 -1.050539
C 1.526854 -0.528697 0.417381
C 3.138198 -1.954707 0.693430
C 0.331057 0.217746 0.255956
C 1.622836 2.190292 0.170347
C -2.432419 0.874641 0.000803
C -3.857861 0.388227 -0.074809
C -4.637153 0.242088 1.102105
C -4.447342 0.064665 -1.324415
C -5.973832 -0.209600 1.041250
C -5.782487 -0.388124 -1.406992
C -6.525029 -0.517412 -0.217446
H 7.018084 -0.243396 -0.428007
H 5.648670 -1.005999 1.480512
H 5.278086 0.675866 0.986293
H 6.052557 0.191086 -2.693628
H 4.399020 -0.072020 -2.071603
H 5.341416 1.330135 -1.503826
H 6.706369 -2.211145 -1.944201
H 6.496915 -2.706885 -0.240290
H 5.068047 -2.485589 -1.300626
H 3.709900 -2.866652 0.851158
H -2.102333 1.390597 -0.913135
H -2.245801 1.532658 0.862718
H -4.196084 0.479728 2.076813
H -3.857909 0.164054 -2.243008
H 2.485323 4.073439 0.068325
H 0.717252 4.039603 -0.058786
H -6.571524 -0.319681 1.950454
H -6.233433 -0.634370 -2.372468


