%chk=000123766.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123766

0 1
 S    2.385600      -3.279800       2.398700    
 P    3.751900      0.5504000      0.1969000    
 P    2.817100      -2.201500      0.8443000    
 P   0.7305000      -2.867600      -1.145100    
 O  -0.1472000       1.941800      -1.309300    
 O   -1.393300       4.546000      9.0300001E-02
 O    1.213300       4.442800      0.8823000    
 O    2.314200       1.028500     -0.3684000    
 O    3.399100     -0.7192000       1.130900    
 O    4.156100       1.699000       1.261700    
 O    4.793700      0.2708000     -0.8472000    
 O    1.596400      -1.906600     -0.1785000    
 O    3.938200      -2.823400     -0.1493000    
 O  -0.1758000      -1.843200      -2.005600    
 O    1.823400      -3.382800      -2.220200    
 O  -2.2500001E-02  -3.962200     -0.4486000    
 N   -1.767500      0.9585000      0.1198000    
 N   -1.746900     -0.8781000       1.386500    
 N   -3.964000      0.7375000     -0.8947000    
 N   -5.101500      -1.277700     -0.1192000    
 N   -4.109000      -2.791700       1.445900    
 C  -0.9126000       3.277400      0.5319000    
 C   0.6035000       3.226000      0.5083000    
 C   -1.304700       2.207100     -0.4882000    
 C   0.8915000       2.862600     -0.9380000    
 C    2.249500       2.214600      -1.140200    
 C   -2.966700      0.3372000     -9.1399997E-02
 C   -1.070600      0.1889000       1.015000    
 C   -2.934000     -0.7978000      0.7027000    
 C   -4.055500      -1.620500      0.6708000    
 C   -4.992400     -0.1369000     -0.8422000    
 H   -1.324300       3.118200       1.532900    
 H   0.9549000       2.445000       1.189900    
 H   -2.101100       2.559700      -1.153000    
 H   0.8223000       3.742600      -1.589400    
 H    3.052200       2.905100     -0.8629000    
 H    2.380300       1.927700      -2.188500    
 H   -1.058100       4.708800     -0.8072000    
 H   0.8906000       4.669700       1.771100    
 H  -7.7200003E-02  0.4391000       1.357700    
 H   -5.848000      0.1064000      -1.463100    
 H   -3.329500      -3.049900       2.035800    
 H   -4.935000      -3.373200       1.405400    
 H    4.549700       2.535900      0.9350000    
 H    4.185700      -2.321000     -0.9546000    
 H  -0.9810000      -1.461000      -1.596900    
 H    1.563500      -4.071800      -2.868100    


%chk=000123766-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123766

0 1
S 2.227910 -4.389999 0.559957
P 3.483544 0.263588 0.984587
P 2.833356 -2.560332 -0.055617
P 0.363742 -1.879532 -1.972834
O -0.087107 1.582283 -1.310082
O -1.549320 4.322161 -1.091409
O 0.900599 4.854073 -0.162598
O 2.284200 1.391622 0.527909
O 2.827442 -1.308670 1.258920
O 3.681344 0.796797 2.584379
O 4.726605 0.198110 -0.021403
O 1.894247 -1.605156 -1.147612
O 4.403195 -2.416973 -0.677539
O 0.291684 -0.434517 -2.801819
O 0.848941 -2.984688 -3.181230
O -0.834794 -2.332875 -1.040327
N -1.721045 0.948451 0.341634
N -1.630024 -0.492895 2.127357
N -3.749526 0.062636 -0.785499
N -4.706609 -1.860815 0.409654
N -3.770673 -2.738517 2.393174
C -1.100412 3.379140 -0.076375
C 0.448293 3.475667 0.058353
C -1.371660 1.962476 -0.628085
C 0.967084 2.604030 -1.107845
C 2.308519 1.924000 -0.870576
C -2.817767 0.074559 0.202632
C -1.041431 0.543082 1.515926
C -2.742913 -0.795617 1.315965
C -3.740029 -1.811701 1.388595
C -4.661427 -0.941647 -0.600219
H -1.626291 3.547434 0.882932
H 0.799438 3.081341 1.027159
H -2.172417 1.988498 -1.386417
H 1.038533 3.226114 -2.020997
H 3.124650 2.663335 -0.950808
H 2.475359 1.103236 -1.589725
H -0.925175 5.100306 -1.060159
H 1.141979 5.284029 0.693909
H -0.115070 1.009989 1.841846
H -5.449643 -1.023052 -1.354232
H -3.033647 -2.750924 3.094904
H -4.488190 -3.460289 2.374235
H 3.937547 0.086355 3.227781
H 4.762236 -1.458554 -0.663216
H 0.073238 0.412686 -2.232280
H 0.236287 -3.757846 -3.278904


