%chk=000210891.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210891

0 1
Cl 4.911362 2.926978 -0.302562
N -2.373904 -0.438001 -1.080255
N 0.568680 -0.368811 -0.815783
N 2.306633 0.881685 0.207998
N 2.472313 -1.561857 -0.030992
N 4.316249 -0.256473 0.942667
N 4.413125 -2.620253 0.807068
C -1.575221 -1.622212 -0.615954
C -1.523008 0.615606 -1.700279
C -0.135304 -1.631082 -1.159770
C -0.224995 0.889743 -0.923413
C -3.408752 -0.017680 -0.180949
C 1.790219 -0.359369 -0.190497
C -4.142783 -0.996092 0.528970
C -3.798224 1.335373 -0.077598
C -5.230120 -0.617687 1.315549
C -4.890420 1.693285 0.712045
C -5.610065 0.724286 1.416622
C 3.563145 0.863627 0.733219
C 3.720108 -1.456253 0.552939
C 4.165739 2.181991 1.136134
H -2.106495 -2.531240 -0.983922
H -1.546747 -1.681557 0.496813
H -2.095487 1.565361 -1.817372
H -1.295604 0.272456 -2.737845
H 0.414376 -2.514336 -0.750939
H -0.127244 -1.740542 -2.269634
H 0.393449 1.664046 -1.437536
H -0.442855 1.287153 0.095848
H -3.887793 -2.049039 0.452040
H -3.255343 2.108550 -0.619077
H -5.790902 -1.380362 1.856127
H -5.181371 2.741470 0.781073
H -6.457001 1.009749 2.033715
H 4.957667 2.048278 1.905536
H 3.392107 2.878492 1.525073
H 5.376454 -2.566500 1.104469
H 4.083312 -3.491282 0.421374


%chk=000210891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210891

0 1
Cl 5.000584 2.833603 -1.482825
N -2.219610 -0.023371 0.213487
N 0.667187 -0.236925 0.369318
N 2.756143 0.862643 0.312120
N 2.560062 -1.536155 -0.127804
N 4.749504 -0.440563 -0.178845
N 4.522411 -2.736678 -0.573519
C -1.575414 -1.203152 0.816380
C -1.344838 1.112264 -0.144469
C -0.174809 -1.446201 0.224235
C -0.019181 1.044687 0.633351
C -3.609957 0.050987 0.027951
C 2.022557 -0.306544 0.180043
C -4.497250 -0.895711 0.630434
C -4.185611 1.086259 -0.774670
C -5.889080 -0.811169 0.424071
C -5.580376 1.160847 -0.963101
C -6.449223 0.214780 -0.371877
C 4.094682 0.722444 0.106454
C 3.918804 -1.542607 -0.284034
C 4.934468 1.965635 0.204694
H -2.180848 -2.100266 0.596143
H -1.505964 -1.117920 1.923670
H -1.848196 2.063076 0.118577
H -1.133686 1.139335 -1.235838
H 0.314868 -2.292669 0.736341
H -0.256383 -1.719303 -0.846580
H 0.655470 1.860744 0.331533
H -0.215642 1.155928 1.718769
H -4.109112 -1.682122 1.285456
H -3.544408 1.818191 -1.275327
H -6.542352 -1.550011 0.903336
H -5.989224 1.963001 -1.588913
H -7.531451 0.276493 -0.524682
H 5.977024 1.725862 0.447098
H 4.490162 2.700662 0.887458
H 5.529407 -2.754407 -0.714669
H 3.954581 -3.574166 -0.672865


