%chk=000026927.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026927

0 1
 S    2.378000     -0.9702000       2.706500    
 P    2.304100     -0.2931000      0.8836000    
 O    2.370700      -1.386800     -0.3180000    
 O    3.490500      0.7502000      0.4970000    
 O   0.9697000      0.5531000      0.4984000    
 N  -0.1758000     -0.2475000      0.4585000    
 N  -0.6137000       2.942700     -0.2219000    
 C    3.559900      -2.129600     -0.5275000    
 C    3.454600       1.455000     -0.7327000    
 C   -2.624200      2.4800001E-02  4.0000002E-03
 C    3.355400      -3.068300      -1.697500    
 C    4.674200       2.347000     -0.8256000    
 C   -3.588500      0.9660000     -0.3295000    
 C   -2.963600      -1.307100      0.1991000    
 C   -1.224700      0.4423000      0.1510000    
 C   -4.917800      0.5678000     -0.4706000    
 C   -4.293000      -1.705200      5.7900000E-02
 C   -5.270100     -0.7679000     -0.2770000    
 C  -0.8856000       1.826800     -5.5700000E-02
 H    4.390100      -1.448000     -0.7342000    
 H    3.794200      -2.704600      0.3732000    
 H    3.440800      0.7458000      -1.565200    
 H    2.549800       2.068100     -0.7775000    
 H    4.255200      -3.660500      -1.885600    
 H    2.518600      -3.747800      -1.505000    
 H    3.106600      -2.505600      -2.603400    
 H    4.676500       2.909700      -1.763200    
 H    4.700200       3.053200      1.0800000E-02
 H    5.591500       1.751800     -0.7684000    
 H   -3.361900       2.015100     -0.4899000    
 H   -2.215900      -2.050900      0.4599000    
 H   -5.679200       1.297200     -0.7314000    
 H   -4.567500      -2.745200      0.2086000    
 H   -6.305100      -1.077900     -0.3870000    


%chk=000026927-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026927

0 1
S 2.706397 -1.052078 2.655721
P 2.633042 -0.127331 0.837484
O 2.765338 -1.083028 -0.596590
O 3.766515 1.111471 0.559457
O 1.159567 0.868472 0.463480
N -0.003510 0.011285 0.393258
N -0.976575 3.320120 -0.354929
C 2.267704 -2.494630 -0.596435
C 3.795923 1.851733 -0.756224
C -2.398444 0.026255 0.005874
C 2.867318 -3.156714 -1.832529
C 4.998683 2.782153 -0.664176
C -3.547709 0.731248 -0.443443
C -2.516094 -1.346519 0.363895
C -1.090930 0.719617 0.099995
C -4.791890 0.072706 -0.540263
C -3.760068 -1.996543 0.264022
C -4.902869 -1.291738 -0.189648
C -1.025423 2.145112 -0.142394
H 2.591456 -2.985671 0.340889
H 1.163549 -2.465863 -0.630596
H 3.894360 1.111262 -1.569855
H 2.844383 2.401713 -0.861236
H 2.519625 -4.204545 -1.895861
H 2.554772 -2.631205 -2.750711
H 3.969149 -3.156101 -1.782652
H 5.079782 3.373072 -1.595579
H 4.888393 3.479109 0.183215
H 5.930274 2.207671 -0.529140
H -3.468717 1.789587 -0.716517
H -1.633549 -1.881686 0.727710
H -5.671629 0.624715 -0.887308
H -3.845243 -3.051632 0.545446
H -5.869582 -1.801619 -0.262662


