%chk=000104035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104035

0 1
 S   0.2459000       1.355200      -1.386800    
 S   3.8500000E-02   1.944300       1.511900    
 N  -0.5231000     -7.4199997E-02 -0.9764000    
 N    2.441900       1.811000      0.1648000    
 C   0.2954000      -1.201100     -0.5330000    
 C   -1.714200      1.2800000E-02 -0.1339000    
 C    1.550700      -1.308400      -1.405700    
 C   0.6629000      -1.028200      0.9449000    
 C   -2.586000       1.190100     -0.5843000    
 C   -2.492600      -1.306200     -0.1943000    
 C    2.469800      -2.429200     -0.9233000    
 C    1.582600      -2.149800       1.424400    
 C   -3.879600       1.266500      0.2248000    
 C   -3.785800      -1.226600      0.6151000    
 C    2.828600      -2.267700      0.5512000    
 C   -4.651900     -4.8799999E-02  0.1774000    
 C    1.035500       1.719200      0.1652000    
 C    3.248200       1.483200       1.342800    
 C    3.233300       2.258000     -0.9848000    
 H  -0.2165000      -2.157100     -0.6831000    
 H   -1.548600      0.1485000      0.9293000    
 H    2.170100     -0.4100000      -1.408600    
 H    1.270400      -1.505300      -2.448700    
 H  -0.1883000      -1.055200       1.628300    
 H    1.303700     -0.2033000       1.152600    
 H   -2.853600       1.073100      -1.644200    
 H   -2.112700       2.171100     -0.4875000    
 H   -1.943900      -2.150200      0.2336000    
 H   -2.733800      -1.562200      -1.234400    
 H    3.384900      -2.443500      -1.526400    
 H    1.975300      -3.396900      -1.074300    
 H    1.035700      -3.100900       1.407800    
 H    1.879600      -1.973500       2.465200    
 H   -4.510300       2.074100     -0.1642000    
 H   -3.648000       1.517200       1.267400    
 H   -3.546900      -1.127700       1.681300    
 H   -4.350400      -2.159000      0.5006000    
 H    3.423100      -3.128300      0.8784000    
 H    3.460200      -1.383800      0.6791000    
 H   -5.535700      1.8800000E-02  0.8218000    
 H   -5.013500     -0.2224000     -0.8437000    
 H    2.670200       1.050900       2.160400    
 H    3.714900       2.405600       1.703100    
 H    4.034100      0.7817000       1.050900    
 H    2.606900       2.692800      -1.765800    
 H    3.785000       1.403700      -1.386500    
 H    3.940900       3.023500     -0.6514000    


%chk=000104035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104035

0 1
S 0.783618 0.929677 -0.742678
S 0.870612 1.696422 2.348290
N -0.157502 -0.347202 -0.017706
N 2.328545 2.931230 0.375024
C 0.481567 -1.679610 0.176518
C -1.631866 -0.228650 0.189519
C 0.922372 -2.340203 -1.159247
C 1.659516 -1.657873 1.181357
C -2.136394 1.229567 0.233910
C -2.447426 -1.036083 -0.862176
C 1.497341 -3.760144 -0.934975
C 2.231545 -3.079486 1.406685
C -3.648920 1.274869 0.562300
C -3.963134 -0.995824 -0.547993
C 2.667134 -3.739226 0.077255
C -4.480392 0.458604 -0.455424
C 1.433825 1.969950 0.769153
C 2.853031 3.939443 1.322117
C 2.787550 3.079645 -1.024889
H -0.319460 -2.310368 0.619350
H -1.830810 -0.672584 1.191541
H 1.695893 -1.696226 -1.625358
H 0.064844 -2.372076 -1.857862
H 1.320474 -1.206732 2.130238
H 2.457119 -0.998155 0.783240
H -1.960590 1.709714 -0.749196
H -1.558124 1.791476 0.989144
H -2.098743 -2.086335 -0.892365
H -2.256078 -0.598957 -1.863796
H 1.828164 -4.190267 -1.900600
H 0.695474 -4.424294 -0.548673
H 1.459254 -3.714399 1.890455
H 3.085320 -3.029644 2.110159
H -3.990101 2.328091 0.579228
H -3.815932 0.869984 1.582083
H -4.149040 -1.510151 0.418408
H -4.523856 -1.558071 -1.320112
H 3.035637 -4.767737 0.259633
H 3.512788 -3.165015 -0.355187
H -5.551669 0.468497 -0.174529
H -4.403526 0.936417 -1.454269
H 2.333548 3.825254 2.285429
H 2.679519 4.955707 0.921450
H 3.939001 3.792773 1.475970
H 2.924404 2.091821 -1.496382
H 3.759086 3.600929 -1.025226
H 2.069280 3.667041 -1.628812


