%chk=000027159.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027159

0 1
 S    1.796100     -0.5616000     -0.7655000    
 S   -1.986200     -0.7259000      0.9130000    
 O    3.317700      -1.601100       1.132600    
 O   -3.351400      -1.120800      -1.317700    
 N   0.4256000       2.352600     -0.3310000    
 N    3.666000      -2.308600      -1.036000    
 N   -4.372000      -1.665200      0.6790000    
 C  -9.2000002E-03   1.223900      0.5034000    
 C    1.178000      0.2702000      0.7326000    
 C   -1.272100      0.5965000     -0.1124000    
 C    1.576000       3.015000      0.2769000    
 C  -0.6740000       3.294700     -0.5178000    
 C    3.046500      -1.570000     -6.0899999E-02
 C   -3.341100      -1.199700     -9.6000001E-02
 H  -0.2918000       1.610000       1.495300    
 H    2.009300      0.7506000       1.257700    
 H   0.8541000     -0.5231000       1.416500    
 H   -2.089600       1.316700     -0.1953000    
 H   -1.068500      0.2066000      -1.115500    
 H    2.498200       2.436200      0.1689000    
 H    1.416500       3.258100       1.333900    
 H    1.792800       3.957100     -0.2424000    
 H  -0.3076000       4.227900     -0.9643000    
 H   -1.172900       3.561000      0.4212000    
 H   -1.410500       2.929100      -1.240300    
 H    3.391800      -2.235200      -2.010000    
 H    4.418400      -2.951700     -0.8138000    
 H   -4.298100      -1.704100       1.690000    
 H   -5.241200      -1.985000      0.2653000    


%chk=000027159-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027159

0 1
S 2.539141 -0.016218 -0.484264
S -1.618242 -1.333579 -0.022512
O 2.189868 -2.472650 0.783922
O -3.544804 0.669359 -0.064688
N 0.228590 2.375272 -0.320002
N 3.811791 -2.370461 -0.889832
N -4.159636 -1.356598 0.914740
C -0.033229 1.036376 0.282002
C 1.216985 0.330985 0.833459
C -0.742329 0.158120 -0.778953
C 1.346412 3.155136 0.253148
C -0.998631 3.208330 -0.375277
C 2.824917 -1.835491 -0.091408
C -3.276999 -0.509942 0.279954
H -0.717059 1.134291 1.166350
H 1.701592 0.913535 1.631000
H 0.946266 -0.666232 1.227838
H -1.524245 0.721480 -1.308268
H -0.015100 -0.243819 -1.501756
H 2.300738 2.608848 0.174313
H 1.188521 3.444734 1.323581
H 1.454216 4.086811 -0.331061
H -0.829528 4.069288 -1.046408
H -1.288035 3.601645 0.631331
H -1.855649 2.631556 -0.756434
H 4.302303 -1.810025 -1.584710
H 4.048889 -3.355138 -0.775190
H -3.895008 -2.302571 1.184622
H -5.100936 -1.018843 1.111902


