%chk=000158453.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158453

0 1
 Cl   2.700600      -3.647700      0.3527000    
 N   -1.214400     -0.7370000     -0.4718000    
 N   0.8730000      0.3018000     -0.2166000    
 N   0.6636000      -2.084800     -8.1200004E-02
 N    2.987700       1.281800      4.6900000E-02
 N    2.813200      -1.052000      0.1842000    
 C   -1.898600      0.5273000     -0.6667000    
 C   -3.224800      0.3001000      -1.399300    
 C   -2.112700       1.223100      0.6811000    
 C   -4.271500     -0.3930000     -0.5268000    
 C   -3.163300      0.5266000       1.546300    
 C   -4.477600      0.3394000      0.7952000    
 C   0.1464000     -0.8428000     -0.2503000    
 C    2.185400      0.1209000      2.6000000E-03
 C    1.989600      -2.111200      0.1292000    
 C    2.457700       2.597700     -0.1290000    
 C    3.545600       3.649800      3.4000000E-03
 H   -1.286300       1.173500      -1.309100    
 H   -3.062000     -0.2913000      -2.308500    
 H   -3.623600       1.271000      -1.720500    
 H   -2.445100       2.252500      0.4937000    
 H   -1.177000       1.299900       1.246200    
 H   -3.972000      -1.428900     -0.3293000    
 H   -5.222700     -0.4411000      -1.069300    
 H   -3.340300       1.116700       2.452700    
 H   -2.785700     -0.4498000       1.873400    
 H   -4.929600       1.320100      0.6018000    
 H   -5.183500     -0.2191000       1.420200    
 H   -1.746700      -1.598900     -0.4576000    
 H    3.978200       1.142200      0.2099000    
 H    1.995600       2.690700      -1.118700    
 H    1.683600       2.798900      0.6209000    
 H    4.015900       3.605300      0.9915000    
 H    4.329000       3.500300     -0.7471000    
 H    3.127300       4.652000     -0.1325000    


%chk=000158453-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158453

0 1
Cl 2.705551 -3.727693 0.349371
N -1.216834 -0.691444 -0.460840
N 0.871155 0.382175 -0.218943
N 0.639706 -2.054440 -0.077995
N 3.033070 1.279907 0.028378
N 2.829043 -1.043979 0.168180
C -1.963452 0.571583 -0.660910
C -3.288250 0.271048 -1.404562
C -2.238018 1.294114 0.688564
C -4.309330 -0.491775 -0.522175
C -3.243819 0.518775 1.569483
C -4.566602 0.253027 0.810526
C 0.126992 -0.770175 -0.246829
C 2.212203 0.191181 -0.012544
C 1.968524 -2.075250 0.119002
C 2.567529 2.666774 -0.141056
C 3.743196 3.645105 0.009991
H -1.320883 1.223481 -1.281228
H -3.077732 -0.287471 -2.336968
H -3.732017 1.241118 -1.702380
H -2.646261 2.299515 0.457562
H -1.278641 1.445734 1.215410
H -3.943663 -1.517088 -0.301596
H -5.255571 -0.620978 -1.081171
H -3.443481 1.083909 2.499747
H -2.794389 -0.447382 1.876486
H -5.062967 1.221724 0.593231
H -5.263198 -0.329292 1.443579
H -1.711642 -1.585503 -0.462681
H 4.023737 1.085759 0.184924
H 2.091837 2.775146 -1.134722
H 1.780851 2.879957 0.607423
H 4.205079 3.565342 1.011085
H 4.522698 3.458268 -0.751463
H 3.390581 4.682828 -0.117279


