%chk=000025934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025934

0 1
 S    4.687500      -1.151800      0.8234000    
 S   -4.693200      -1.135200     -0.8525000    
 O    4.087700      -1.929100     -0.2444000    
 O    4.841700      -1.726200       2.146100    
 O   -4.086000      -1.933800      0.1951000    
 O   -4.857400      -1.682900      -2.185300    
 N   1.9000000E-03   1.968600     -5.0000002E-04
 N    3.878200      0.3369000      0.9602000    
 N   -3.884400      0.3558000     -0.9653000    
 C    2.447200       2.025500     -0.1301000    
 C   -2.444900       2.021900      0.1482000    
 C    1.198900       1.143100     -7.1800001E-02
 C   -1.197300       1.140500      6.3100003E-02
 C    3.733000       1.210100     -0.2247000    
 C   -3.730200       1.205000      0.2357000    
 C    6.295000     -0.6441000      0.2914000    
 C   -6.296600     -0.6378000     -0.2987000    
 C    6.556000     -0.5361000      -1.063600    
 C   -6.547800     -0.5569000       1.060100    
 C    7.262700     -0.3637000       1.240300    
 C   -7.271200     -0.3382000      -1.234800    
 C    8.812300      0.1518000     -0.5400000    
 C   -8.807500      0.1418000      0.5668000    
 C    7.824700     -0.1351000      -1.482600    
 C   -7.813200     -0.1640000       1.496100    
 C    8.531300      3.7500001E-02  0.8212000    
 C   -8.536500      5.4800000E-02 -0.7986000    
 C    10.16860      0.5801000     -0.9885000    
 C   -10.16050      0.5615000       1.033600    
 H    2.486300       2.663000      0.7628000    
 H    2.391300       2.693600     -0.9987000    
 H   -2.492000       2.676600     -0.7317000    
 H   -2.380300       2.672800       1.029000    
 H    1.167500      0.5024000     -0.9615000    
 H    1.247100      0.4926000      0.8092000    
 H   -1.158700      0.4906000      0.9457000    
 H   -1.250500      0.4997000     -0.8248000    
 H    4.591700       1.888100     -0.2682000    
 H    3.714000      0.6139000      -1.142400    
 H   -3.704700      0.5905000       1.141100    
 H   -4.588300       1.882200      0.2992000    
 H  -4.4799998E-02   2.581800     -0.8138000    
 H    3.887300      0.8170000       1.868700    
 H   -3.899900      0.8541000      -1.863900    
 H    5.800700     -0.7526000      -1.812500    
 H   -5.786900     -0.7879000       1.799000    
 H    7.062000     -0.4391000       2.304500    
 H   -7.077900     -0.3914000      -2.301600    
 H    8.032100     -5.1100001E-02  -2.546100    
 H   -8.011600     -9.7499996E-02   2.562600    
 H    9.292400      0.2581000       1.565000    
 H   -9.301800      0.2940000      -1.532200    
 H    10.11640       1.130500      -1.934000    
 H    10.63520       1.246900     -0.2554000    
 H    10.81220     -0.2944000      -1.126500    
 H   -10.41050      9.3400002E-02   1.991800    
 H   -10.19550       1.648800       1.154300    
 H   -10.93540      0.2625000      0.3195000    


%chk=000025934-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025934

0 1
S 5.302627 -1.278468 0.657345
S -5.489150 -1.113752 -1.091789
O 4.974380 -2.226040 -0.620516
O 5.327191 -1.795651 2.197572
O -4.957884 -2.283467 -0.098205
O -5.796845 -1.327123 -2.673189
N -0.008980 1.325561 -0.370587
N 4.004528 0.020241 0.632038
N -4.173179 0.179575 -1.051688
C 2.455316 1.485276 -0.599130
C -2.425701 1.417457 0.173612
C 1.239600 0.542890 -0.514475
C -1.235501 0.511036 -0.195253
C 3.804997 0.734241 -0.650349
C -3.761793 0.649256 0.294131
C 6.982677 -0.462891 0.310643
C -7.061697 -0.396961 -0.303605
C 7.422061 -0.382396 -1.020622
C -7.253370 -0.565229 1.077360
C 7.732692 0.008034 1.400877
C -7.987617 0.251079 -1.137807
C 9.468681 0.726494 -0.200194
C -9.390864 0.648792 0.853699
C 8.674526 0.223722 -1.265188
C -8.430533 -0.032192 1.648538
C 8.982253 0.607670 1.129715
C -9.157286 0.772576 -0.542566
C 10.829579 1.340787 -0.472610
C -10.639648 1.237789 1.483743
H 2.429738 2.177451 0.265338
H 2.387534 2.113598 -1.511882
H -2.531478 2.226269 -0.580415
H -2.214255 1.915726 1.138820
H 1.236052 -0.133470 -1.406138
H 1.349338 -0.106216 0.373022
H -1.050214 -0.200145 0.633426
H -1.498785 -0.099213 -1.089808
H 4.626456 1.449009 -0.879412
H 3.778227 -0.031465 -1.447426
H -3.619133 -0.249667 0.921661
H -4.527759 1.294650 0.778637
H -0.121309 1.988188 -1.153507
H 4.130605 0.613139 1.469212
H -4.453798 0.921187 -1.716533
H 6.816908 -0.805798 -1.829007
H -6.524829 -1.124988 1.673065
H 7.363373 -0.119030 2.424035
H -7.814705 0.308887 -2.217736
H 9.042529 0.298781 -2.294945
H -8.609326 -0.156460 2.722801
H 9.590780 0.980300 1.961840
H -9.902595 1.272549 -1.171913
H 10.869543 1.816841 -1.467597
H 11.091112 2.101078 0.283578
H 11.620702 0.566575 -0.447039
H -10.950874 0.668392 2.376476
H -10.463075 2.282562 1.805373
H -11.484420 1.252064 0.773571


