%chk=000006074.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006074

1 1
 S    3.166100      0.2482000      -1.076300    
 N   -3.306000      0.1582000     -0.1566000    
 N   0.4277000     -5.4200001E-02  0.3639000    
 C   -1.867800      0.3409000     -0.4993000    
 C   -1.007000     -0.2094000      0.6368000    
 C   -3.656100      -1.331900     -7.3899999E-02
 C   -3.624500      0.8037000       1.196800    
 C   -4.200200      0.8047000      -1.220900    
 C   -1.603400     -0.3156000      -1.847500    
 C   -5.128400      -1.481000      0.2417000    
 C    1.205400      -1.235900      0.2669000    
 C   0.9380000       1.266300      0.2841000    
 C    2.475200      -1.221400     -0.3433000    
 C    2.181600       1.528600     -0.3241000    
 C   0.7664000      -2.466100      0.8035000    
 C   0.2497000       2.368700      0.8363000    
 C    3.245400      -2.394800     -0.4304000    
 C    2.686700       2.839100     -0.3937000    
 C    1.538000      -3.628200      0.7188000    
 C   0.7586000       3.668600      0.7688000    
 C    2.777600      -3.593200      9.8200001E-02
 C    1.977000       3.904500      0.1502000    
 H   -1.717400       1.418800     -0.6203000    
 H   -1.217300      0.2355000       1.614000    
 H   -1.273900      -1.249100      0.7561000    
 H   -3.450000      -1.816800      -1.030600    
 H   -3.091400      -1.812800      0.7262000    
 H   -3.129300       1.778700       1.237100    
 H   -4.702700      0.9655000       1.286300    
 H   -3.287300      0.1543000       2.009500    
 H   -4.280900      0.1486000      -2.091800    
 H   -5.197300      0.9851000     -0.8080000    
 H   -3.764700       1.770100      -1.498200    
 H   -2.275800     -1.8000000E-03  -2.648500    
 H  -0.6025000     -2.8200001E-02  -2.194000    
 H   -1.587200      -1.408700      -1.801200    
 H   -5.360400      -2.551400      0.3075000    
 H   -5.416600      -1.057500       1.206900    
 H   -5.786800      -1.085900     -0.5362000    
 H  -0.1505000      -2.577200       1.372600    
 H  -0.6950000       2.253400       1.358600    
 H    4.221600      -2.386700     -0.9113000    
 H    3.641800       3.044000     -0.8735000    
 H    1.173600      -4.554500       1.153600    
 H   0.2013000       4.492000       1.205900    
 H    3.381800      -4.492600      3.1300001E-02
 H    2.376400       4.912400      9.4200000E-02


%chk=000006074-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006074

1 1
S 2.466807 0.369749 -1.672672
N -3.386560 0.228671 -0.328886
N 0.359593 -0.255463 0.417340
C -1.841101 0.007249 -0.628131
C -1.061590 -0.558125 0.607302
C -4.040486 -1.093928 0.145936
C -3.535695 1.311871 0.740860
C -4.066374 0.733012 -1.601115
C -1.583575 -0.850335 -1.876410
C -5.543044 -1.008330 0.439542
C 1.319179 -1.316628 0.265670
C 0.804544 1.108784 0.472571
C 2.397036 -1.154907 -0.643479
C 1.831350 1.543933 -0.407949
C 1.240488 -2.510620 1.026622
C 0.262131 2.039027 1.397149
C 3.372845 -2.159809 -0.797789
C 2.315558 2.866733 -0.359817
C 2.192724 -3.537138 0.842094
C 0.718513 3.376334 1.419290
C 3.260098 -3.365311 -0.068122
C 1.746435 3.793525 0.543962
H -1.475850 1.036343 -0.808503
H -1.448466 -0.150286 1.561260
H -1.176083 -1.653540 0.646351
H -3.842879 -1.833569 -0.646876
H -3.489063 -1.398287 1.050613
H -2.896878 2.166441 0.470366
H -4.585437 1.633958 0.789508
H -3.231835 0.917622 1.720347
H -4.106637 -0.074616 -2.344124
H -5.085903 1.067149 -1.361758
H -3.485900 1.579470 -1.999478
H -1.935414 -0.382870 -2.809581
H -0.487791 -0.950566 -1.969358
H -1.998968 -1.870372 -1.798634
H -5.872941 -2.003440 0.786343
H -5.786233 -0.294337 1.243822
H -6.144709 -0.767391 -0.452013
H 0.456571 -2.629968 1.783190
H -0.485596 1.714030 2.129967
H 4.207235 -2.005227 -1.489268
H 3.124663 3.171628 -1.031169
H 2.115188 -4.457779 1.429361
H 0.292617 4.081765 2.140465
H 4.007586 -4.153380 -0.199687
H 2.113348 4.823924 0.571086


