%chk=000070859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070859

0 1
 S   -2.254000       1.987900       1.471500    
 S  -0.4795000       3.856100     -3.2699998E-02
 N    4.541400     -0.8222000      0.5033000    
 C  -0.2471000     -0.1203000     -0.3022000    
 C   -1.549700     -0.8336000     -0.2865000    
 C    2.244500     -0.3944000     -0.2380000    
 C   -2.442200     -0.6683000      0.7896000    
 C  -0.1308000       1.322200     -0.3556000    
 C   0.8425000     -0.9123000     -0.2355000    
 C    3.174600      -1.331000      0.5320000    
 C   -2.106600      0.2467000       1.936300    
 C  -0.9243000       2.230800      0.3332000    
 C   -1.907000      -1.668500      -1.358900    
 C   -3.671500      -1.346100      0.7731000    
 C   0.8437000       1.993100      -1.172300    
 C   -3.130400      -2.337900      -1.359100    
 C   -4.011100      -2.177800     -0.2936000    
 C   0.7626000       3.362100      -1.085300    
 C    5.010000     -0.6831000     -0.8764000    
 C    5.434800      -1.703300       1.256900    
 H    2.336900      0.5906000      0.2290000    
 H    2.544800     -0.3458000      -1.288800    
 H   0.7277000      -1.994900     -0.2064000    
 H    2.829200      -1.396200       1.572400    
 H    3.124500      -2.345400      0.1127000    
 H   -2.794800      6.9700003E-02   2.770700    
 H   -1.105700      3.3700000E-02   2.329200    
 H   -1.237000      -1.801400      -2.205600    
 H   -4.376400      -1.226600       1.592300    
 H    1.542100       1.521800      -1.850800    
 H   -3.396600      -2.981800      -2.192200    
 H   -4.965200      -2.696700     -0.2946000    
 H    1.365500       4.091800      -1.607100    
 H    4.844400      -1.589000      -1.471000    
 H    6.086300     -0.4707000     -0.8930000    
 H    4.551800      0.1739000      -1.379600    
 H    5.102200      -1.790300       2.297400    
 H    6.449000      -1.289600       1.287700    
 H    5.484800      -2.709500      0.8251000    


%chk=000070859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070859

0 1
S -2.274293 1.971029 1.777692
S -0.756591 4.023896 0.105802
N 4.643503 -0.925827 0.410511
C -0.244314 -0.068999 -0.311017
C -1.567948 -0.785508 -0.289978
C 2.335865 -0.366957 -0.459216
C -2.436864 -0.709015 0.839558
C -0.238338 1.425412 -0.282132
C 0.893065 -0.823029 -0.459573
C 3.221974 -1.336244 0.363212
C -2.018828 0.093368 2.039964
C -1.046758 2.275563 0.483090
C -1.962538 -1.571908 -1.402579
C -3.671369 -1.403403 0.825106
C 0.608531 2.187458 -1.194000
C -3.191923 -2.267455 -1.406658
C -4.053438 -2.181236 -0.289448
C 0.457854 3.554315 -1.133325
C 5.337175 -1.061300 -0.885872
C 5.380660 -1.605960 1.495803
H 2.440736 0.650073 -0.043291
H 2.714619 -0.327573 -1.503081
H 0.751059 -1.912347 -0.544179
H 2.842485 -1.355467 1.402524
H 3.103457 -2.377081 -0.044153
H -2.635522 -0.118279 2.928165
H -0.953911 -0.036644 2.291347
H -1.300799 -1.620571 -2.274340
H -4.332455 -1.337172 1.697754
H 1.275126 1.699289 -1.908052
H -3.478678 -2.865951 -2.278492
H -5.010314 -2.714606 -0.285992
H 0.946511 4.332142 -1.716211
H 5.363060 -2.117450 -1.261519
H 6.379012 -0.709214 -0.783283
H 4.849260 -0.437290 -1.653764
H 4.885095 -1.409210 2.463105
H 6.409389 -1.206880 1.552519
H 5.449843 -2.716269 1.361206


