%chk=000114527.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114527

0 1
 Cl  -1.422800       2.129700      0.9747000    
 O    1.723100      0.5818000       1.764200    
 O   -6.884800     -3.2499999E-02  -1.159400    
 O   -6.234000       2.063300      -1.011400    
 N    2.894100     -0.5707000      5.4499999E-02
 N    2.738000      -1.737500     -0.6625000    
 N  -0.3075000      -1.076300      0.3498000    
 N   -1.130600     -0.8747000       1.273000    
 N   -6.031800      0.8352000     -0.8561000    
 C   0.9723000      -1.544300      0.8515000    
 C    1.658800      -2.308200     -0.2294000    
 C    1.876700     -0.3558000      0.9995000    
 C    3.975100      0.2540000     -0.2124000    
 C    1.143300      -3.608200     -0.7426000    
 C    4.142700       1.450700      0.4943000    
 C    4.911000     -0.1008000      -1.190900    
 C    5.230900       2.281000      0.2260000    
 C    5.999300      0.7295000      -1.458900    
 C   -2.350800     -0.4229000      0.7430000    
 C    6.159200       1.920500     -0.7504000    
 C   -2.599000      0.9355000      0.5601000    
 C   -3.316700      -1.365900      0.3989000    
 C   -4.789100      0.4114000     -0.3152000    
 C   -3.819900       1.353300      3.0300001E-02
 C   -4.537400     -0.9482000     -0.1308000    
 H   0.9250000      -2.133600       1.772300    
 H    1.041300      -4.310900      8.8399999E-02
 H    1.830900      -4.024500      -1.483300    
 H   0.1653000      -3.457000      -1.206500    
 H    3.468200       1.798800       1.264500    
 H    4.822800      -1.019900      -1.764300    
 H    5.356700       3.208600      0.7769000    
 H    6.722600      0.4492000      -2.219100    
 H    7.006600       2.566900     -0.9592000    
 H   -3.130300      -2.427500      0.5390000    
 H   -3.996400       2.418200     -0.1061000    
 H   -5.268300      -1.710500     -0.3884000    


%chk=000114527-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114527

0 1
Cl -3.631429 -1.156752 3.040106
O 1.722284 1.501206 0.803615
O -6.504828 1.201948 -2.170350
O -7.470242 0.503811 -0.222738
N 3.035536 -0.367216 0.076116
N 2.902345 -1.798276 0.050180
N -0.339283 -0.755956 0.368892
N -1.304077 -0.525964 1.210018
N -6.444586 0.715422 -0.976688
C 0.962501 -0.890739 1.060446
C 1.737503 -2.111375 0.580407
C 1.918044 0.272894 0.642903
C 4.238168 0.211289 -0.442717
C 1.250670 -3.521362 0.679137
C 4.410695 1.620593 -0.464230
C 5.256837 -0.644633 -0.936211
C 5.607653 2.158500 -0.982961
C 6.444187 -0.085543 -1.450168
C -2.572736 -0.267748 0.596268
C 6.629186 1.316373 -1.477639
C -3.746999 -0.461384 1.375540
C -2.702876 0.260918 -0.719743
C -5.102439 0.373725 -0.437390
C -5.018711 -0.149635 0.870001
C -3.961790 0.586005 -1.244775
H 0.831400 -0.876142 2.162450
H 1.025465 -3.793311 1.727414
H 2.006180 -4.218185 0.283438
H 0.313305 -3.645554 0.104758
H 3.625651 2.275860 -0.081619
H 5.105437 -1.725757 -0.913358
H 5.737597 3.246147 -0.997812
H 7.227191 -0.750585 -1.830673
H 7.554204 1.744636 -1.877867
H -1.787802 0.417101 -1.298858
H -5.927209 -0.301279 1.457293
H -4.082529 0.998666 -2.249185


