%chk=000121001.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121001

0 1
 S    2.572000     -0.7183000       2.146700    
 P    2.650500     -0.2714000      0.2499000    
 O    1.445700      0.6384000     -0.3413000    
 O    3.950900      0.5859000     -0.2255000    
 O    2.692500      -1.507600     -0.8072000    
 O   -4.374100      -1.648300      0.1668000    
 O   -4.815200      0.5019000      0.1338000    
 N   -4.000800     -0.4522000      0.1018000    
 C  -0.8123000       1.429900     -0.1958000    
 C   0.1051000      0.3841000     -0.2323000    
 C   -2.174900       1.152600     -8.4799998E-02
 C  -0.3278000     -0.9367000     -0.1590000    
 C   -2.613800     -0.1694000     -1.1100000E-02
 C   -1.690400      -1.214000     -4.8200000E-02
 C  -0.3601000       2.850700     -0.2738000    
 C    4.114200       1.923400      0.2157000    
 C    3.638600      -2.549100     -0.6355000    
 H   -2.879400       1.980700     -5.7500001E-02
 H   0.3557000      -1.776500     -0.1927000    
 H   -1.996300      -2.255700      5.2000000E-03
 H   0.3127000       3.081000      0.5590000    
 H   0.1643000       3.030700      -1.218100    
 H   -1.198900       3.553100     -0.2230000    
 H    5.022000       2.330500     -0.2365000    
 H    4.217400       1.952900       1.303000    
 H    3.261300       2.531900     -9.5100001E-02
 H    3.709600      -3.112600      -1.569100    
 H    3.308000      -3.222300      0.1592000    
 H    4.622100      -2.137400     -0.3943000    


%chk=000121001-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121001

0 1
S 2.635341 -0.564191 2.243713
P 2.668963 -0.183577 0.223254
O 1.326311 0.688472 -0.478942
O 3.948911 0.779563 -0.399671
O 2.724214 -1.512050 -0.868408
O -4.549650 -1.722816 0.234502
O -4.996913 0.513180 0.166114
N -4.179218 -0.488016 0.138392
C -0.939259 1.439810 -0.252217
C -0.029817 0.343959 -0.286796
C -2.309571 1.138580 -0.115696
C -0.457349 -1.000680 -0.195297
C -2.735605 -0.204798 -0.012368
C -1.826336 -1.283443 -0.050822
C -0.437012 2.862431 -0.360292
C 4.432997 1.936914 0.391179
C 3.772796 -2.543507 -0.659041
H -3.056789 1.936116 -0.080304
H 0.275304 -1.810617 -0.259441
H -2.197673 -2.308116 0.024750
H 0.297764 3.083738 0.435188
H 0.080565 3.027799 -1.322363
H -1.267712 3.582312 -0.279464
H 5.385186 2.214695 -0.083297
H 4.594833 1.652591 1.446994
H 3.712337 2.769698 0.322306
H 3.498065 -3.357353 -1.345162
H 3.765955 -2.901141 0.386863
H 4.761962 -2.133350 -0.923376


