%chk=000004885.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004885

0 1
 S    2.129800      -1.795300      0.2148000    
 N   -2.453600      0.8083000      0.2322000    
 N    3.163000      0.5484000     -0.1802000    
 N    4.714700      -1.235000     -8.6199999E-02
 C   -1.061500      0.7614000     -0.2104000    
 C  -0.3035000       2.013600      0.2865000    
 C  -0.4017000     -0.5424000      0.2962000    
 C    1.152900       2.037400     -0.2156000    
 C    1.079100     -0.4594000      0.1308000    
 C    1.796400      0.7020000     -7.6499999E-02
 C   -3.196700     -0.3327000     -0.2802000    
 C   -4.639600     -0.2917000      0.2167000    
 C    3.453900     -0.7277000     -4.0199999E-02
 C   -5.433400      -1.486800     -0.2880000    
 H   -1.030800      0.7752000      -1.309500    
 H  -0.3057000       2.029500       1.385100    
 H  -0.8084000       2.929200     -4.5400001E-02
 H  -0.7585000      -1.410200     -0.2699000    
 H  -0.6271000     -0.7061000       1.358000    
 H    1.721000       2.793600      0.3373000    
 H    1.167600       2.323700      -1.274100    
 H   -2.887800       1.674300     -8.5600004E-02
 H   -3.186200     -0.3381000      -1.376900    
 H   -2.782900      -1.282900      6.9700003E-02
 H   -4.661100     -0.2863000       1.313500    
 H   -5.128700      0.6299000     -0.1214000    
 H   -5.458800      -1.507300      -1.382200    
 H   -4.996000      -2.426600      6.3800000E-02
 H   -6.464900      -1.436400      7.4600004E-02
 H    5.524200     -0.6416000     -0.2355000    
 H    4.896100      -2.227100      2.5599999E-02


%chk=000004885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004885

0 1
S 2.387884 -1.882906 0.323889
N -2.429899 0.613912 0.287781
N 3.260686 0.597297 -0.245829
N 5.024167 -1.023047 -0.136632
C -1.022970 0.592476 -0.174556
C -0.309580 1.884955 0.291395
C -0.288276 -0.660174 0.391063
C 1.131326 1.987223 -0.262501
C 1.195832 -0.499717 0.199961
C 1.861226 0.674502 -0.095396
C -3.317350 -0.432448 -0.267677
C -4.774271 -0.215894 0.186714
C 3.703445 -0.634616 -0.063545
C -5.735977 -1.284629 -0.374441
H -0.952755 0.543600 -1.292948
H -0.293560 1.891667 1.398291
H -0.894433 2.769613 -0.032555
H -0.652553 -1.573418 -0.117310
H -0.556719 -0.756797 1.462638
H 1.690649 2.785088 0.260594
H 1.118016 2.267825 -1.335166
H -2.841572 1.548764 0.149775
H -3.282659 -0.471025 -1.387712
H -2.974447 -1.421738 0.093189
H -4.801882 -0.216937 1.293009
H -5.112227 0.791105 -0.137587
H -5.735732 -1.282268 -1.480762
H -5.443115 -2.297674 -0.040266
H -6.772667 -1.105815 -0.036425
H 5.720764 -0.311251 -0.343538
H 5.310450 -1.984774 0.013547


