%chk=000025878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025878

0 1
 S  -0.9632000       2.758900     -0.7442000    
 S   -1.710300      -2.763800     -0.3272000    
 O   0.6787000      -1.303000       1.123400    
 N    3.177200     -0.1043000      0.1419000    
 N  -9.7099997E-02 -0.1893000     -0.7921000    
 C    2.205000     -0.8215000     -0.6821000    
 C    4.501700     -0.1468000     -0.4770000    
 C    2.752300       1.280100      0.3454000    
 C   0.8535000     -0.8161000      1.1000000E-02
 C    3.751600       2.041100       1.200200    
 C    4.985800      -1.577700     -0.6400000    
 C   -1.467700      1.7700000E-02 -0.5064000    
 C   -1.981900       1.313300     -0.4553000    
 C   -2.304100      -1.074500     -0.2749000    
 C   -3.332700       1.516900     -0.1728000    
 C   -3.654900     -0.8708000      7.7999998E-03
 C   -4.169200      0.4249000      5.8600001E-02
 C   -1.140600       3.643100      0.8288000    
 C   -2.083700      -3.328300       1.354900    
 H    2.146200     -0.4076000      -1.696300    
 H    2.452500      -1.884600     -0.7780000    
 H    5.247600      0.3363000      0.1621000    
 H    1.799300       1.315900      0.8848000    
 H    2.610200       1.807600     -0.6065000    
 H    4.517900      0.3637000      -1.448100    
 H    4.865600      -2.154800      0.2833000    
 H    4.477200      -2.101200      -1.455300    
 H    4.035200       1.477700       2.095700    
 H    4.655000       2.315400      0.6468000    
 H    3.299800       2.980900       1.538300    
 H    6.053300      -1.577900     -0.8880000    
 H   0.2825000      0.4913000      -1.448000    
 H   -3.762800       2.514700     -0.1370000    
 H   -4.331900      -1.703300      0.1822000    
 H   -5.221900      0.5832000      0.2741000    
 H   -2.164200       4.001800      0.9624000    
 H  -0.8704000       2.991300       1.664200    
 H  -0.4698000       4.506300      0.8303000    
 H   -1.659600      -2.643700       2.094300    
 H   -3.163200      -3.404100       1.508200    
 H   -1.644400      -4.318200       1.504700    


%chk=000025878-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025878

0 1
S -1.849318 2.835069 -1.407887
S -1.513619 -2.706174 -0.124637
O 0.524918 -0.540011 1.128234
N 3.165125 0.083106 0.072090
N -0.410636 0.188729 -0.895445
C 2.012497 -0.100074 -0.811464
C 4.455051 -0.239986 -0.589041
C 3.158621 1.394898 0.771187
C 0.661378 -0.175353 -0.069144
C 4.020466 1.404121 2.047544
C 4.640484 -1.744743 -0.866366
C -1.793816 0.112479 -0.564804
C -2.600658 1.278513 -0.744813
C -2.417806 -1.096540 -0.138951
C -3.983620 1.251120 -0.473317
C -3.802397 -1.100763 0.153694
C -4.585546 0.062312 -0.003078
C -0.889351 3.402817 0.125175
C -1.310961 -2.958140 1.742681
H 1.940284 0.691239 -1.610888
H 2.118009 -1.063201 -1.345491
H 5.262377 0.087452 0.088896
H 2.114440 1.600953 1.069152
H 3.476670 2.225439 0.087436
H 4.586217 0.339077 -1.541066
H 4.503144 -2.318810 0.066034
H 3.925259 -2.131014 -1.615165
H 3.691436 0.594378 2.720544
H 5.095583 1.264451 1.834349
H 3.910787 2.370660 2.573642
H 5.657489 -1.936733 -1.255683
H -0.192002 0.757721 -1.722417
H -4.574704 2.159474 -0.624853
H -4.268038 -2.041932 0.464444
H -5.657916 0.037515 0.215863
H -1.597133 3.637260 0.933188
H -0.190603 2.615029 0.443788
H -0.336242 4.307033 -0.173627
H -0.680189 -2.145377 2.127391
H -2.299965 -2.978704 2.225588
H -0.811214 -3.932692 1.861418


