%chk=000226982.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226982

0 1
 S   0.8116000       2.739500      0.3176000    
 O    1.545700       3.761700     -0.4031000    
 O   0.4776000       2.924800       1.716900    
 O    4.707300      -2.448300      -1.144600    
 O    3.785400      -3.196300      0.7070000    
 N  -0.6047000       2.350500     -0.5443000    
 N   -1.385500       1.241400     -2.3900000E-02
 N    3.930000      -2.311100     -0.1698000    
 C    1.737600       1.239700      0.1732000    
 C    2.597300       1.077700     -0.8992000    
 C    1.584700      0.2564000       1.134700    
 C    3.186000      -1.107500     -5.3800002E-02
 C    3.327300     -0.1053000      -1.013600    
 C    2.314700     -0.9267000       1.020500    
 C   -3.379400     -5.5700000E-02 -0.3535000    
 C   -2.462900       1.018200     -0.7015000    
 C   -4.531000     -0.2635000      -1.112700    
 C   -3.107100     -0.8779000      0.7398000    
 C   -5.410300      -1.293700     -0.7786000    
 C   -3.986300      -1.908000       1.073900    
 C   -5.137900      -2.115800      0.3147000    
 H    2.714900       1.842600      -1.660500    
 H   0.9070000      0.3764000       1.974300    
 H    3.995100     -0.2117000      -1.864600    
 H    2.177900      -1.685800       1.786300    
 H  -0.6909000       2.581600      -1.541300    
 H   -2.725900       1.639700      -1.576900    
 H   -4.756800      0.3689000      -1.967400    
 H   -2.218200     -0.7411000       1.349900    
 H   -6.307000      -1.455500      -1.369600    
 H   -3.774500      -2.548600       1.925000    
 H   -5.822400      -2.917900      0.5749000    


%chk=000226982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226982

0 1
S 0.765049 2.643244 0.240666
O 1.501458 3.872811 -0.526159
O 0.204713 2.767934 1.761633
O 5.221429 -2.372821 -0.935667
O 4.183573 -3.209543 0.915475
N -0.610996 2.114558 -1.030114
N -1.437529 1.154918 -0.508960
N 4.349425 -2.305478 0.011388
C 1.854722 1.108158 0.156664
C 2.807821 1.036140 -0.872276
C 1.681278 0.127609 1.146153
C 3.472099 -1.101092 0.064011
C 3.640543 -0.100607 -0.918463
C 2.514463 -1.009160 1.097379
C -3.563974 -0.027272 -0.462096
C -2.685017 1.048153 -0.930678
C -4.903052 -0.080423 -0.941140
C -3.119212 -1.015028 0.463583
C -5.781359 -1.092713 -0.500389
C -3.998770 -2.022675 0.900528
C -5.332799 -2.066733 0.421459
H 2.903691 1.848086 -1.599498
H 0.933047 0.261192 1.932994
H 4.404560 -0.222557 -1.690142
H 2.435516 -1.813338 1.832982
H -1.023701 3.008660 -1.388313
H -3.104324 1.751749 -1.676927
H -5.253057 0.674155 -1.656887
H -2.085728 -0.971873 0.821392
H -6.810531 -1.123526 -0.873973
H -3.650924 -2.779134 1.612585
H -6.013114 -2.854693 0.762587


