%chk=000147866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147866

0 1
 S    3.058400      -1.751100     -9.2200004E-02
 O    3.539400      -1.846500       1.466000    
 O    2.243600      -2.925300     -0.3608000    
 O    4.221400      -1.448100     -0.9092000    
 N    3.903400       1.166400      0.1736000    
 N   -1.583200      0.3635000     -0.6122000    
 N   -2.161500      0.2439000      0.4934000    
 C    2.522800      0.9441000     -2.5000000E-02
 C    2.013700     -0.3475000     -0.1607000    
 C    1.664500       2.042100     -8.4700003E-02
 C   0.6461000     -0.5411000     -0.3564000    
 C  -0.2053000      0.5579000     -0.4151000    
 C   0.2972000       1.848600     -0.2802000    
 C    4.788700       1.331400     -0.9609000    
 C    4.451300       1.217600       1.513300    
 C   -3.532600      5.0600000E-02  0.2978000    
 C   -4.042200      -1.240800      0.1620000    
 C   -4.390600       1.148800      0.2377000    
 C   -5.409700      -1.434100     -3.4000002E-02
 C   -5.758100      0.9555000      4.1800000E-02
 C   -6.267500     -0.3360000     -9.4099998E-02
 H    2.049300       3.053400      1.9600000E-02
 H   0.2243000      -1.536500     -0.4635000    
 H  -0.3644000       2.709400     -0.3262000    
 H    5.021200       2.393500      -1.093500    
 H    4.341300      0.9739000      -1.895000    
 H    5.732900      0.7987000     -0.8060000    
 H    4.788900       2.233900       1.740900    
 H    5.307900      0.5418000       1.605700    
 H    3.714400      0.9301000       2.271400    
 H    2.816400      -1.969000       2.125300    
 H   -3.381800      -2.103000      0.2080000    
 H   -4.003300       2.158900      0.3431000    
 H   -5.806400      -2.439500     -0.1396000    
 H   -6.426300       1.810400     -4.9000001E-03
 H   -7.332200     -0.4864000     -0.2466000    


%chk=000147866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147866

0 1
S 2.615825 -1.745630 1.197421
O 3.653265 -0.854034 2.481051
O 1.401332 -2.484285 1.971338
O 3.588714 -2.688185 0.306178
N 4.068314 1.105981 -0.127368
N -1.635500 0.863500 -0.341330
N -2.237422 -0.245562 0.013656
C 2.692223 0.957822 -0.130762
C 1.925387 -0.182128 0.315837
C 1.877274 2.048290 -0.613852
C 0.532404 -0.255618 0.269195
C -0.220369 0.833919 -0.244399
C 0.484414 1.991675 -0.669277
C 5.048671 0.002324 -0.137122
C 4.660112 2.454493 -0.214928
C -3.664645 -0.212557 -0.074011
C -4.431331 0.907839 -0.507667
C -4.318820 -1.413659 0.310394
C -5.834312 0.812706 -0.551751
C -5.725789 -1.499407 0.263224
C -6.487344 -0.387511 -0.167780
H 2.379611 2.941730 -0.991213
H -0.009437 -1.127209 0.656063
H -0.092352 2.836181 -1.059782
H 5.873198 0.273800 -0.821098
H 4.600785 -0.932949 -0.503596
H 5.457077 -0.183266 0.872689
H 4.731350 2.820111 -1.260354
H 5.678733 2.414317 0.204123
H 4.080077 3.180293 0.379639
H 3.837028 -1.523358 3.202961
H -3.908100 1.823678 -0.799111
H -3.702110 -2.256368 0.639863
H -6.428693 1.671195 -0.884773
H -6.226994 -2.426785 0.560588
H -7.580579 -0.451843 -0.205246


