%chk=000178287.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178287

0 1
 Cl  -2.050400     -0.3593000      -3.676100    
 O  -0.5257000       3.541800      0.4949000    
 O   -4.235500      -1.781900       2.417600    
 O   -2.964300     -5.7200000E-02   2.895300    
 N   0.1743000       1.598400     -0.5624000    
 N    1.744700       3.110400      0.4254000    
 N   -3.453700     -0.8646000       2.068700    
 C    3.702400      -2.805000      5.8499999E-02
 C    2.775400      -1.647900     -0.1047000    
 C    1.072400      0.4777000     -0.4042000    
 C  -0.9786000       1.500200      -1.463800    
 C    2.107700      -1.454400      -1.314000    
 C    2.576200     -0.7595000      0.9521000    
 C    1.240800     -0.3722000      -1.466400    
 C    1.709200      0.3224000      0.7996000    
 C   -1.914200      0.3971000      -1.061400    
 C    3.239800      -3.779300       1.158300    
 C    5.153300      -2.363500      0.3282000    
 C   0.3996000       2.797000      0.1497000    
 C   -2.245000      0.2759000      0.2850000    
 C   -2.441500     -0.4845000      -1.999800    
 C   -3.111800     -0.7365000      0.6965000    
 C   -3.308200      -1.497000      -1.588100    
 C   -3.643500      -1.623000     -0.2400000    
 C    2.137400       3.886300       1.593500    
 C    2.839100       2.678400     -0.4422000    
 H    3.721000      -3.379300     -0.8778000    
 H  -0.5866000       1.432100      -2.481400    
 H   -1.542300       2.441500      -1.439300    
 H    2.256900      -2.133100      -2.149500    
 H    3.074300     -0.9000000       1.907400    
 H   0.7669000     -0.2377000      -2.430200    
 H    1.525200      0.9471000       1.667100    
 H    3.263400      -3.317700       2.151300    
 H    3.887600      -4.662200       1.185900    
 H    2.215300      -4.119700      0.9707000    
 H    5.506000      -1.686000     -0.4575000    
 H    5.821100      -3.231500      0.3487000    
 H    5.251800      -1.844300       1.287700    
 H   -1.841100      0.9819000       1.005800    
 H   -3.730700      -2.195600      -2.305800    
 H   -4.321600      -2.423500      4.4100001E-02
 H    2.584800       4.826700       1.260100    
 H    2.866100       3.313400       2.174000    
 H    1.268700       4.101900       2.221100    
 H    2.500500       2.279800      -1.400300    
 H    3.511100       1.994900      8.1500001E-02
 H    3.425900       3.572500     -0.6856000    


%chk=000178287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178287

0 1
Cl -1.949787 -0.704476 -3.623943
O -0.709329 3.315347 0.529109
O -4.312653 -1.423960 2.674932
O -2.950025 0.374393 3.008346
N 0.348654 1.626272 -0.717520
N 1.626036 3.262346 0.493811
N -3.476254 -0.531450 2.255993
C 3.789526 -3.052486 -0.073358
C 2.897330 -1.819961 -0.239596
C 1.215569 0.487045 -0.559670
C -0.874103 1.478039 -1.548356
C 2.346282 -1.478649 -1.498797
C 2.576959 -0.982309 0.861420
C 1.521827 -0.344664 -1.666251
C 1.745388 0.144311 0.713482
C -1.831091 0.406313 -1.034594
C 3.152189 -4.092669 0.886912
C 5.216667 -2.668012 0.400629
C 0.376597 2.766715 0.140992
C -2.218510 0.423705 0.327913
C -2.377293 -0.614761 -1.848277
C -3.096563 -0.559176 0.821142
C -3.262553 -1.598663 -1.356528
C -3.629975 -1.577331 -0.000364
C 1.698111 4.275063 1.561273
C 2.877198 2.995029 -0.233157
H 3.885365 -3.531164 -1.069176
H -0.592621 1.267604 -2.593159
H -1.386490 2.455414 -1.523797
H 2.566458 -2.108556 -2.369666
H 2.965359 -1.221806 1.858728
H 1.119966 -0.116862 -2.659002
H 1.494286 0.756291 1.586451
H 3.046067 -3.678882 1.907100
H 3.784187 -4.997669 0.954390
H 2.147956 -4.394749 0.539480
H 5.692974 -1.957120 -0.298515
H 5.857651 -3.566409 0.472264
H 5.189267 -2.193941 1.399677
H -1.842336 1.216779 0.982615
H -3.652648 -2.368551 -2.027590
H -4.308484 -2.321178 0.423813
H 1.962663 5.267788 1.147128
H 2.463849 3.987891 2.306986
H 0.714414 4.353376 2.046703
H 2.663555 2.536779 -1.209863
H 3.548087 2.316447 0.328423
H 3.404479 3.953508 -0.400335


