%chk=000013746.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013746

0 1
 S   -1.875500     -0.4085000      0.6589000    
 P   -3.870000     -0.3620000     -8.9999998E-04
 O   -4.855500     -0.2356000       1.286300    
 O   -4.171600       1.008300     -0.8221000    
 O   0.8327000       1.831700     -0.4788000    
 O   -4.171400      -1.583600     -0.8303000    
 N   0.5360000     -0.4733000     -0.5223000    
 N    1.060500      -1.729200     -0.3867000    
 N    2.264500      -1.919500     -0.1112000    
 C    2.683800      0.4881000     -4.4500001E-02
 C  -0.8808000     -0.4397000     -0.8434000    
 C    1.271600      0.6911000     -0.3675000    
 C    3.117500     -0.8257000      6.9100000E-02
 C    3.556800       1.564400      0.1417000    
 C    4.463000      -1.059800      0.3775000    
 C    4.893200       1.316800      0.4483000    
 C    5.347000      4.9000001E-03  0.5664000    
 C   -6.252600     -0.1351000       1.069000    
 C   -3.949300       2.266700     -0.2094000    
 H   -1.100700      0.4595000      -1.427300    
 H   -1.139300      -1.314700      -1.448700    
 H    3.215600       2.591700      5.2499998E-02
 H    4.832700      -2.078100      0.4733000    
 H    5.580100       2.145100      0.5950000    
 H    6.388200     -0.1906000      0.8055000    
 H   -6.758300     -0.1445000       2.037700    
 H   -6.601800     -0.9853000      0.4774000    
 H   -6.490100      0.7987000      0.5540000    
 H   -4.314500       2.273400      0.8203000    
 H   -4.484000       3.030700     -0.7792000    
 H   -2.881400       2.497900     -0.2246000    


%chk=000013746-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013746

0 1
S -2.078738 -0.989848 0.578669
P -3.982342 -0.093823 -0.365081
O -4.816131 0.192634 1.131138
O -3.560439 1.471532 -0.953903
O 0.230761 1.523686 -0.540360
O -4.757929 -0.933305 -1.465688
N 0.404257 -0.814356 -0.657084
N 1.114320 -2.067247 -0.539248
N 2.371026 -2.040327 -0.199548
C 2.368469 0.453870 -0.053886
C -0.993992 -0.987012 -1.016671
C 0.942754 0.485036 -0.423380
C 3.032731 -0.807059 0.051666
C 3.083584 1.649731 0.202325
C 4.403988 -0.865585 0.414834
C 4.442409 1.584880 0.560140
C 5.101747 0.327389 0.667348
C -6.247263 -0.193934 1.221307
C -2.912463 2.459402 -0.046751
H -1.325616 -0.146531 -1.644239
H -1.110153 -1.959194 -1.510224
H 2.555815 2.604424 0.114886
H 4.881657 -1.847003 0.487614
H 4.998452 2.507013 0.758433
H 6.159339 0.291461 0.948131
H -6.501557 -0.038787 2.280123
H -6.389747 -1.251477 0.939821
H -6.870553 0.450230 0.576833
H -3.473815 2.540129 0.899847
H -2.961520 3.404233 -0.608618
H -1.862652 2.173637 0.127563


