%chk=000044551.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044551

0 1
 S   -1.113400       1.284000     -9.9999997E-05
 S    1.930600       1.349500      1.9999999E-04
 N   -4.583400     -0.8251000      3.0000001E-04
 N   0.5606000     -0.8161000     -1.9999999E-04
 N    1.886600      -1.212400       0.000000    
 N    4.059600     -0.2603000      1.9999999E-04
 C   -2.239000     -0.1413000     -9.9999997E-05
 C   -3.688500      0.3283000     -9.9999997E-05
 C   0.4825000      0.4748000     -1.9999999E-04
 C    2.704300     -0.1814000       0.000000    
 H   -2.039200     -0.7511000     -0.8886000    
 H   -2.040700     -0.7523000      0.8879000    
 H   -3.898800      0.9337000      0.8887000    
 H   -3.899300      0.9406000     -0.8843000    
 H   -4.424900      -1.382900     -0.8379000    
 H   -5.549000     -0.5030000     -4.9600001E-02
 H    4.543400      -1.152300      5.0000002E-04
 H    4.643700      0.5694000      7.9999998E-04


%chk=000044551-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044551

0 1
S -1.179320 1.287359 1.492067
S 1.874911 1.315321 0.718497
N -4.094709 -0.858450 -0.596445
N 0.174441 -0.620153 -0.041743
N 1.419196 -1.002039 -0.585219
N 3.696025 -0.281599 -0.717316
C -2.537751 0.012615 1.073608
C -3.092323 0.191558 -0.353740
C 0.205537 0.510886 0.645025
C 2.395397 -0.135215 -0.298544
H -2.082411 -0.982027 1.202367
H -3.319100 0.172571 1.834013
H -3.580797 1.179055 -0.435756
H -2.246979 0.175380 -1.072256
H -3.718570 -1.767204 -0.873085
H -4.925168 -0.581433 -1.120223
H 3.925317 -1.099690 -1.277853
H 4.421405 0.385164 -0.475896


