%chk=000004139.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004139

1 1
 S  -6.8000001E-03  -1.524800     -6.6500001E-02
 N   -4.987400     -0.6754000     -4.1499998E-02
 N    5.065800     -0.6703000     -2.3200000E-02
 N  -5.1899999E-02   1.642400      7.4100003E-02
 C   -1.375100     -0.4797000     -2.2900000E-02
 C    1.354500     -0.3909000     -1.4600000E-02
 C   -1.174100      0.9951000      4.3299999E-02
 C    1.188900      0.9956000      4.6999998E-02
 C   -3.813200     -0.1564000     -1.3400000E-02
 C    3.773200     -0.1081000      1.3000000E-03
 C   -2.607500      -1.006600     -4.8900001E-02
 C    2.650400     -0.9339000     -3.7000000E-02
 C   -2.410100       1.826000      7.8699999E-02
 C    2.329900       1.814500      8.4899999E-02
 C   -3.636000       1.301700      5.2499998E-02
 C    3.612800       1.269500      6.2399998E-02
 C   -5.184700      -2.146300     -0.1081000    
 C   -6.210000      0.1677000     -8.7000001E-03
 C    6.171400      5.6100000E-02 -0.6161000    
 C    5.310000      -1.976400      0.5567000    
 H   -2.715400      -2.085300     -9.7300000E-02
 H    2.767400      -2.014200     -9.8300003E-02
 H   -2.282800       2.903300      0.1275000    
 H    2.220000       2.896100      0.1355000    
 H   -4.480900       1.978800      8.1500001E-02
 H    4.460200       1.947300      0.1054000    
 H   -4.743300      -2.606000      0.7809000    
 H   -4.738700      -2.524500      -1.032400    
 H   -6.253200      -2.378500     -0.1211000    
 H   -6.216700      0.8199000     -0.8868000    
 H   -6.225200      0.7367000      0.9253000    
 H   -7.100800     -0.4656000     -4.2100001E-02
 H    6.555100      0.8121000      7.6899998E-02
 H    5.875500      0.5438000      -1.551800    
 H    7.000200     -0.6176000     -0.8611000    
 H    4.779500      -2.098900       1.507900    
 H    6.375100      -2.121100      0.7697000    
 H    5.001400      -2.770300     -0.1315000    


%chk=000004139-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004139

1 1
S 0.012276 -1.565817 0.058661
N -5.110385 -0.695941 0.029656
N 5.128481 -0.660153 -0.002027
N 0.000552 1.650930 -0.095627
C -1.402446 -0.432882 0.008038
C 1.418755 -0.422998 -0.000435
C -1.198121 1.002747 -0.061411
C 1.203979 1.011149 -0.068307
C -3.846622 -0.153642 0.001569
C 3.860834 -0.126800 -0.021730
C -2.679706 -0.992904 0.038555
C 2.700019 -0.974165 0.022219
C -2.383621 1.823599 -0.097026
C 2.383454 1.840282 -0.110330
C -3.655806 1.281675 -0.067098
C 3.659530 1.307212 -0.088108
C -5.298934 -2.161416 0.096574
C -6.308488 0.174351 -0.004850
C 6.320166 0.218621 -0.043061
C 5.328069 -2.124103 0.065633
H -2.788199 -2.079119 0.091154
H 2.816425 -2.059598 0.074082
H -2.225553 2.904630 -0.149138
H 2.217589 2.920227 -0.160686
H -4.519286 1.948944 -0.096271
H 4.518204 1.980494 -0.121186
H -4.854118 -2.580972 1.018191
H -4.847184 -2.663136 -0.779361
H -6.373433 -2.391236 0.102772
H -6.341110 0.775299 -0.931984
H -6.334274 0.855845 0.865017
H -7.210910 -0.451984 0.026678
H 6.349766 0.895475 0.830372
H 6.339545 0.824957 -0.966990
H 7.227158 -0.401593 -0.024209
H 4.894712 -2.545348 0.991956
H 6.404182 -2.346312 0.062231
H 4.872000 -2.630517 -0.805323


