%chk=000001924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001924

0 1
 S    3.455900       3.327400      -1.016700    
 P   -2.957200      -1.223100      0.4130000    
 O  -0.8322000       1.246500      -1.304800    
 O   -1.993100     -9.9600002E-02   1.055200    
 O   -2.870900     -0.9087000      -1.170900    
 O   -1.076500       3.370300       1.119400    
 O   -4.449500     -0.7589000      0.8321000    
 O   -2.616600      -2.636500      0.7848000    
 N    1.142300      0.8265000     -4.8599999E-02
 N    3.196300      9.5100001E-02  0.4234000    
 N   4.0100001E-02  -1.291900     -0.4947000    
 N    1.582600      -3.166000     -0.2412000    
 N    3.876300      -2.868300      0.3726000    
 C   -2.132600       1.257000      0.6513000    
 C   -2.192500       1.408000     -0.8649000    
 C  -0.8362000       1.972500      0.9821000    
 C   2.7500000E-02   1.751700     -0.2645000    
 C   -3.094200      0.4277000      -1.599300    
 C    2.424900       1.155700      0.3057000    
 C    1.096900     -0.5346000     -0.1645000    
 C    2.379200     -0.9683000      0.1323000    
 C    2.842700       2.556600      0.5197000    
 C    2.605700      -2.340200      8.5800000E-02
 C   0.3811000      -2.598900     -0.5071000    
 H   -3.010100       1.689100       1.141700    
 H   -2.485900       2.430700      -1.134200    
 H  -0.3568000       1.618800       1.901100    
 H   0.4406000       2.690200     -0.6428000    
 H   -4.148900      0.6742000      -1.444000    
 H   -2.893000      0.4590000      -2.674700    
 H   -1.667200       3.489700       1.882600    
 H    2.042100       3.174200      0.9368000    
 H    3.663300       2.581200       1.244800    
 H   -4.750000      0.1552000      0.6446000    
 H  -0.4099000      -3.290500     -0.7755000    
 H    2.314500       3.240800      -1.714400    
 H    4.015800      -3.868700      0.3314000    
 H    4.641600      -2.254300      0.6161000    


%chk=000001924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001924

0 1
S 0.785735 1.224159 -3.261902
P -3.557269 0.017249 -1.243265
O -0.477641 2.244332 -0.199861
O -3.678514 0.698939 0.348486
O -2.549250 1.214188 -2.012280
O -1.288208 -0.028486 2.539507
O -5.161986 0.364104 -1.736221
O -3.067102 -1.465266 -1.484516
N 1.117463 0.534843 0.339543
N 3.047202 -0.121758 -0.720486
N 1.106980 -1.157908 2.174414
N 3.026519 -2.675112 2.057591
N 4.668371 -2.527581 0.366020
C -2.472377 1.356531 0.911281
C -1.929214 2.509734 0.002755
C -1.277156 0.410883 1.172064
C -0.040569 1.309554 0.833860
C -2.584055 2.563049 -1.378871
C 2.027562 0.763973 -0.737790
C 1.620290 -0.558039 1.055092
C 2.806400 -0.944950 0.385273
C 1.865086 1.803005 -1.794477
C 3.517631 -2.055573 0.927562
C 1.874492 -2.205879 2.609198
H -2.837205 1.728960 1.879985
H -2.039749 3.492433 0.501961
H -1.292993 -0.432750 0.445259
H 0.260403 1.858814 1.752538
H -3.624847 2.928961 -1.310065
H -2.001310 3.198435 -2.063784
H -0.436723 -0.599204 2.649225
H 1.435063 2.735594 -1.410142
H 2.848682 1.984712 -2.250956
H -5.574492 -0.352169 -2.283919
H 1.518022 -2.729339 3.500382
H -0.407495 1.124667 -2.558465
H 5.132425 -3.330116 0.787276
H 5.035929 -2.093387 -0.478573


