%chk=000095841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095841

0 1
 S   0.7540000      -1.470000      0.4313000    
 O    1.153700      -2.260100       1.575400    
 O   6.7100003E-02  -2.022000     -0.7162000    
 O   0.4115000       2.317600      0.9962000    
 N  -1.5200000E-02 -1.8400000E-02  0.9473000    
 C    2.143000     -0.5842000     -0.1351000    
 C    2.010800      0.7886000      7.2400004E-02
 C   -1.342300     -8.3499998E-02   1.575400    
 C   0.7412000       1.179400      0.7164000    
 C   -2.434200      3.0600000E-02  0.5469000    
 C    3.257100      -1.146500     -0.7231000    
 C    3.018600       1.654600     -0.3150000    
 C    4.276800     -0.2784000      -1.116000    
 C    4.159100       1.109200     -0.9140000    
 C   -2.928800       1.283500      0.2094000    
 C   -2.934000      -1.118400     -5.1500000E-02
 C   -3.941500       1.389200     -0.7440000    
 C   -3.946600      -1.012500      -1.004900    
 C   -4.450300      0.2413000      -1.351100    
 H   -1.434400      0.7129000       2.324200    
 H   -1.445200      -1.018500       2.139700    
 H    3.345900      -2.215400     -0.8778000    
 H    2.938500       2.725700     -0.1642000    
 H    5.173400     -0.6766000      -1.583600    
 H    4.966700       1.765200      -1.228400    
 H   -2.540500       2.184100      0.6761000    
 H   -2.558200      -2.101400      0.2173000    
 H   -4.333900       2.365400      -1.013500    
 H   -4.344700      -1.906500      -1.475900    
 H   -5.239300      0.3235000      -2.093000    


%chk=000095841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095841

0 1
S 0.916779 -1.659443 0.723702
O 1.230827 -2.253789 2.198768
O 0.185642 -2.635500 -0.347355
O 0.292136 2.278194 0.531334
N -0.015469 -0.017507 0.889025
C 2.352202 -0.703520 -0.036501
C 2.046151 0.666934 -0.087197
C -1.349884 0.017497 1.516737
C 0.709727 1.088426 0.455754
C -2.494708 0.153700 0.515827
C 3.546566 -1.266721 -0.492102
C 3.002715 1.548641 -0.630123
C 4.498790 -0.366653 -1.036899
C 4.227147 1.022420 -1.103393
C -3.377547 1.256398 0.601605
C -2.696975 -0.825768 -0.489618
C -4.461784 1.376251 -0.298175
C -3.776823 -0.702551 -1.390555
C -4.664358 0.395805 -1.295641
H -1.354519 0.865816 2.225856
H -1.447889 -0.911663 2.111456
H 3.744762 -2.340899 -0.436376
H 2.772150 2.617957 -0.671505
H 5.452343 -0.754981 -1.408600
H 4.977051 1.697384 -1.527912
H -3.210437 2.027892 1.362719
H -2.007828 -1.675801 -0.573893
H -5.139044 2.234480 -0.225097
H -3.926973 -1.462676 -2.165488
H -5.502447 0.488079 -1.995652


