%chk=000006003.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006003

1 1
 S   -3.488700      0.3222000      0.2420000    
 N    3.308100     -0.5733000      0.1210000    
 N  -0.4034000     -4.3900002E-02  0.3491000    
 C    1.923200     -0.3463000     -0.3646000    
 C   0.9766000     -0.2087000      0.8239000    
 C    4.285900     -0.6868000      -1.056300    
 C    3.768700      0.5863000       1.014400    
 C    3.392200      -1.869200      0.9386000    
 C    1.353300      0.9988000       1.675800    
 C  -0.8578000       1.277500      0.1090000    
 C   -1.154300      -1.221400      0.1037000    
 C    4.279400      0.6097000      -1.836200    
 C   -2.233700       1.566300      1.5000000E-02
 C   -2.559400      -1.180200      9.4999997E-03
 C   3.7099998E-02   2.353000     -8.1699997E-02
 C  -0.5355000      -2.475600     -9.2600003E-02
 C   -2.678800       2.877300     -0.2310000    
 C   -3.298900      -2.349700     -0.2414000    
 C  -0.4106000       3.653300     -0.3309000    
 C   -1.274900      -3.634000     -0.3468000    
 C   -1.770200       3.916400     -0.4024000    
 C   -2.658200      -3.571600     -0.4179000    
 H    1.668100      -1.175200      -1.031500    
 H    1.905200      0.5477000     -0.9851000    
 H    1.000800      -1.076400       1.490300    
 H    5.282700     -0.9029000     -0.6555000    
 H    3.961600      -1.529000      -1.677900    
 H    3.518100       1.554000      0.5817000    
 H    3.585300      0.3950000       2.068900    
 H    4.868600      0.5589000      0.9869000    
 H    4.449300      -2.074400       1.137000    
 H    2.876400      -1.753300       1.893900    
 H    2.960900      -2.680600      0.3460000    
 H    1.854400      0.6332000       2.581900    
 H    1.885300       1.877800       1.333600    
 H   0.4620000       1.394000       2.193200    
 H    5.039000      0.5332000      -2.624500    
 H    3.341300      0.7983000      -2.363500    
 H    4.551700       1.491900      -1.253400    
 H    1.092900       2.238100     -0.2818000    
 H   0.5374000      -2.613400     -3.1800002E-02
 H   -3.741600       3.102800     -0.2947000    
 H   -4.385000      -2.320700     -0.3022000    
 H   0.3060000       4.448000     -0.5183000    
 H  -0.7652000      -4.583500     -0.4829000    
 H   -2.123200       4.922700     -0.6055000    
 H   -3.237400      -4.469100     -0.6116000    


%chk=000006003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006003

1 1
S -2.929914 0.266661 1.408133
N 3.585347 -0.437797 0.375225
N -0.275816 -0.048718 -0.115380
C 2.166914 -0.089712 -0.184385
C 0.926615 -0.254947 0.753468
C 4.530713 -0.763057 -0.822213
C 4.170538 0.720548 1.178828
C 3.530833 -1.685634 1.253071
C 0.910502 0.647835 2.008742
C -0.855931 1.273395 -0.217642
C -1.171332 -1.178049 -0.256405
C 4.683716 0.348702 -1.864369
C -2.084629 1.572411 0.429430
C -2.440971 -1.175692 0.377549
C -0.228789 2.289101 -0.981712
C -0.791395 -2.306362 -1.022881
C -2.654714 2.860897 0.347841
C -3.312111 -2.279268 0.257315
C -0.775849 3.589853 -1.040475
C -1.643255 -3.429310 -1.117628
C -1.986714 3.878194 -0.369440
C -2.904362 -3.415289 -0.477781
H 2.017093 -0.752740 -1.053074
H 2.227826 0.950830 -0.540404
H 0.868836 -1.310867 1.076509
H 5.507412 -1.012694 -0.370688
H 4.119066 -1.677925 -1.282899
H 4.210963 1.618546 0.546827
H 3.535102 0.918381 2.050989
H 5.185686 0.447687 1.507966
H 4.557909 -1.965825 1.534889
H 2.946044 -1.476644 2.159212
H 3.063413 -2.506138 0.687620
H 1.662044 0.333458 2.756837
H 1.077307 1.710062 1.758459
H -0.076278 0.566405 2.495250
H 5.363154 -0.025412 -2.650569
H 3.734070 0.607833 -2.359828
H 5.143186 1.264469 -1.457560
H 0.666470 2.046543 -1.564463
H 0.160495 -2.287370 -1.566249
H -3.611893 3.065894 0.838110
H -4.296535 -2.253153 0.735627
H -0.277398 4.365819 -1.630489
H -1.338021 -4.298652 -1.709059
H -2.424374 4.879810 -0.424956
H -3.576272 -4.274879 -0.563944


