%chk=000171251.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171251

0 1
 S    3.685000      0.1855000     -0.7653000    
 O   0.6425000      0.6561000     -0.6940000    
 O  -0.8169000       3.511600     -0.5939000    
 O    1.094000       3.576800       1.349400    
 N   -1.553100      2.2299999E-02 -5.2200001E-02
 N   -2.123500      -1.757000       1.167200    
 N   -3.644100      0.4058000      -1.228500    
 N   -5.336800      -1.231100     -0.5873000    
 N   -4.910100      -2.963000       1.008000    
 N    8.080300      -2.586800     -0.5609000    
 C  -0.7390000       2.371200      0.2598000    
 C   0.5985000       2.309800      0.9734000    
 C  -0.7269000       1.102300     -0.5943000    
 C    1.483800       1.632300     -5.8200002E-02
 C    2.699700      0.9500000      0.5424000    
 C   -2.855400     -0.2517000     -0.3652000    
 C   -1.159000     -0.9105000      0.8719000    
 C   -3.189500      -1.356900      0.4012000    
 C    5.003000     -0.5099000      0.2597000    
 C    6.005700      -1.278700     -0.5975000    
 C   -4.484900      -1.846400      0.2677000    
 C    7.116900      -1.872700      0.2688000    
 C   -4.870300     -0.1591000      -1.272200    
 H   -1.578000       2.435600      0.9601000    
 H   0.4996000       1.683800       1.868900    
 H   -1.079400       1.285400      -1.616000    
 H    1.798900       2.361800     -0.8172000    
 H    2.387700      0.1612000       1.235200    
 H    3.318400       1.673100       1.082600    
 H   -1.674600       3.473600      -1.050800    
 H    1.963700       3.444300       1.762700    
 H  -0.1656000     -0.9259000       1.298800    
 H    5.509200      0.3048000      0.7881000    
 H    4.558700      -1.180000       1.003300    
 H    6.447300     -0.6095000      -1.347700    
 H    5.494800      -2.085700      -1.139200    
 H    6.693800      -2.561400       1.008400    
 H    7.636800      -1.076800      0.8127000    
 H   -5.579100      0.3086000      -1.947200    
 H   -4.276500      -3.423400       1.647400    
 H   -5.856600      -3.299400      0.8942000    
 H    7.613300      -3.348800      -1.050800    
 H    8.784300      -3.019600      3.5500001E-02


%chk=000171251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171251

0 1
S 3.410181 0.129549 -0.885753
O 0.661908 1.348738 -1.768403
O -1.146098 3.746270 -1.607224
O 0.604733 4.128254 0.398648
N -1.147091 0.089327 -0.818536
N -1.043995 -2.149862 -0.298674
N -3.308919 0.648913 0.319205
N -4.302738 -1.316944 1.417664
N -3.293594 -3.454693 1.372716
N 7.380193 -3.131052 0.357096
C -1.065471 2.612075 -0.695464
C 0.214981 2.722778 0.197203
C -0.773268 1.349780 -1.534118
C 1.340684 2.033914 -0.624030
C 2.159858 1.040110 0.204969
C -2.301435 -0.191892 -0.068381
C -0.441725 -1.126629 -0.932368
C -2.210570 -1.577871 0.241559
C 4.441407 -0.648963 0.504401
C 5.514226 -1.566811 -0.104398
C -3.270775 -2.133414 1.016553
C 6.370244 -2.256580 0.982343
C -4.262429 0.001481 1.053706
H -2.001964 2.523365 -0.118470
H 0.052109 2.215581 1.167358
H -1.270075 1.390602 -2.516525
H 1.997762 2.798954 -1.073305
H 1.508953 0.294155 0.694860
H 2.722426 1.598800 0.976002
H -0.474940 4.417386 -1.299459
H 0.096158 4.514714 1.155719
H 0.505739 -1.177836 -1.465053
H 4.901164 0.168662 1.089200
H 3.754805 -1.218795 1.157352
H 6.187236 -0.994003 -0.768246
H 5.023081 -2.340536 -0.728859
H 5.686490 -2.784514 1.694052
H 6.904233 -1.482954 1.567813
H -5.102895 0.612984 1.395554
H -2.542417 -4.072217 1.072023
H -4.078002 -3.806334 1.917668
H 6.984399 -3.888713 -0.208229
H 8.112029 -3.464179 0.990829


