%chk=000072417.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072417

0 1
 Cl  -1.819000       4.425800      0.6474000    
 O   -2.550800      -3.241600      -1.523100    
 N   -1.088200      -1.928200     -0.3560000    
 N   -3.079900      -1.038000      -1.219600    
 N    3.853800     -0.6983000      -1.071900    
 C  -0.8911000      -1.007500       1.870000    
 C  -0.6428000      -2.395100       2.338400    
 C   -2.037600      -1.842400       2.312000    
 C  -0.7472000     -0.7152000      0.3906000    
 C   -1.612700      0.4658000      3.1999999E-03
 C   0.6926000     -0.4522000      0.2157000    
 C   -2.768200      0.2508000     -0.7589000    
 C   -2.262100      -2.138600      -1.052600    
 C   -1.333100       1.773800      0.4350000    
 C   -3.625500       1.308300      -1.080500    
 C   -2.182900       2.832200      0.1071000    
 C    1.865800     -0.2373000      7.3799998E-02
 C   -3.329000       2.599000     -0.6483000    
 C    3.262900      2.0600000E-02 -9.3800001E-02
 C    3.918700      0.9411000      0.7038000    
 C    5.277000       1.138400      0.4819000    
 C    5.174800     -0.4797000      -1.258300    
 C    5.924600      0.4183000     -0.5160000    
 H  -0.5877000     -0.1949000       2.521700    
 H  -0.1743000      -2.515000       3.310500    
 H  -0.4090000      -3.211200       1.670300    
 H   -2.739600      -2.268200       1.609600    
 H   -2.495100      -1.598600       3.265100    
 H  -0.4447000      -2.713400     -0.3151000    
 H  -0.4516000       1.966300       1.043200    
 H   -3.940200      -1.156900      -1.747300    
 H   -4.521900       1.137900      -1.671200    
 H   -4.001200       3.412900     -0.9075000    
 H    3.404600       1.498400       1.480100    
 H    5.830100       1.851900       1.085400    
 H    5.632600      -1.065900      -2.048300    
 H    6.982800      0.5558000     -0.7066000    


%chk=000072417-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072417

0 1
Cl -1.586228 4.473042 1.029770
O -2.628069 -3.038478 -1.938586
N -1.093394 -1.827199 -0.655923
N -3.213922 -0.927399 -1.129920
N 4.173284 -1.082749 0.060875
C -0.979686 -1.225515 1.795179
C -0.716074 -2.661045 2.251180
C -2.157699 -2.126373 2.177616
C -0.736323 -0.765439 0.325611
C -1.607462 0.478973 0.057518
C 0.706738 -0.464671 0.173430
C -2.854241 0.331292 -0.607583
C -2.323583 -2.004381 -1.275140
C -1.226055 1.745496 0.544253
C -3.714916 1.448388 -0.754734
C -2.092626 2.841314 0.387345
C 1.917494 -0.250067 0.071087
C -3.341172 2.710202 -0.250662
C 3.328553 0.000642 -0.054714
C 3.805661 1.322026 -0.288442
C 5.194604 1.535965 -0.401350
C 5.510164 -0.848686 -0.057136
C 6.069429 0.431503 -0.283975
H -0.722878 -0.433886 2.508620
H -0.252320 -2.807493 3.230256
H -0.426700 -3.403654 1.501185
H -2.790056 -2.524133 1.379195
H -2.688184 -1.904916 3.107808
H -0.408610 -2.564788 -0.826900
H -0.258117 1.869410 1.039573
H -4.111492 -1.048680 -1.600617
H -4.674614 1.335579 -1.271833
H -4.003456 3.572955 -0.363163
H 3.093306 2.147431 -0.379951
H 5.586220 2.542777 -0.579954
H 6.153477 -1.731277 0.036370
H 7.153845 0.552933 -0.366488


