%chk=000056809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056809

0 1
 S    5.606600       1.331800      -1.415400    
 S    2.737100       1.758800     -0.5325000    
 O   0.2071000       2.583800       1.086700    
 N    4.417800     -0.1302000      0.3457000    
 N  -0.6009000      0.4994000      0.4679000    
 N   -1.890100      0.9084000      0.5028000    
 C    6.510400      4.2100001E-02 -0.7132000    
 C    5.704800     -0.6306000      0.2106000    
 C    7.836800     -0.3460000     -0.9614000    
 C    6.248600      -1.730300      0.9095000    
 C    4.273300      0.8880000     -0.4561000    
 C    8.350500      -1.437600     -0.2565000    
 C    7.568500      -2.122100      0.6674000    
 C    1.779600      0.8175000      0.6794000    
 C   -6.489900     -0.6515000     -0.2058000    
 C   -7.076000      0.5992000     -0.3147000    
 C   -7.256500      -1.804000     -0.1449000    
 C   -5.021200     -0.7581000     -0.1534000    
 C   0.3934000       1.408200      0.7759000    
 C   -8.466300      0.7000000     -0.3641000    
 C   -8.646800      -1.703300     -0.1946000    
 C   -9.251800     -0.4512000     -0.3043000    
 C   -4.195200      0.2433000      0.1766000    
 C   -2.739800     -1.5799999E-02  0.1943000    
 H    8.453400      0.1838000      -1.681000    
 H    5.646400      -2.272100       1.633300    
 H    9.374900      -1.754300     -0.4337000    
 H    7.985000      -2.968600       1.206400    
 H    1.736600     -0.2354000      0.3836000    
 H    2.241300      0.8831000       1.670100    
 H   -6.503600       1.518800     -0.3850000    
 H   -6.800200      -2.786500     -5.7999998E-02
 H   -4.615600      -1.738400     -0.3952000    
 H   -8.937900       1.674200     -0.4542000    
 H   -9.258500      -2.599600     -0.1478000    
 H   -10.33430     -0.3727000     -0.3441000    
 H   -4.517300       1.239400      0.4529000    
 H  -0.4097000     -0.4645000      0.2123000    
 H   -2.424100      -1.041500     -7.2499998E-02


%chk=000056809-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056809

0 1
S 4.790233 1.029287 -1.349374
S 3.457697 3.386009 0.205947
O 0.260325 4.365021 1.995206
N 2.850738 0.680229 0.482721
N 0.490374 2.120744 1.280274
N -0.865739 1.920110 1.082443
C 4.203020 -0.652848 -0.980806
C 3.186699 -0.614191 0.026759
C 4.634501 -1.865329 -1.549262
C 2.598138 -1.819115 0.476613
C 3.569925 1.622308 -0.103434
C 4.035743 -3.060980 -1.089586
C 3.030020 -3.036464 -0.086798
C 2.493525 3.381835 1.860684
C -4.453019 -1.155392 -0.358424
C -5.561150 -0.282894 -0.137530
C -4.720003 -2.460864 -0.866838
C -3.062357 -0.771537 -0.087993
C 0.963326 3.359071 1.714953
C -6.875604 -0.703427 -0.415577
C -6.036697 -2.881528 -1.145262
C -7.122902 -2.004209 -0.920797
C -2.616748 0.438081 0.393429
C -1.218825 0.725312 0.626036
H 5.410210 -1.892434 -2.320168
H 1.831024 -1.790700 1.256679
H 4.356605 -4.018066 -1.513588
H 2.585744 -3.977275 0.254264
H 2.880330 2.525331 2.437591
H 2.783137 4.331018 2.334149
H -5.392716 0.726768 0.252449
H -3.880737 -3.145515 -1.043689
H -2.308428 -1.545401 -0.301908
H -7.713160 -0.019028 -0.239786
H -6.216979 -3.889159 -1.536117
H -8.147611 -2.326597 -1.135797
H -3.308957 1.256453 0.624683
H 1.209614 1.385633 1.060785
H -0.482895 -0.074758 0.404069


