%chk=000072599.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072599

0 1
 S  -0.5580000       2.070700      0.2591000    
 S    2.415700      -1.482400      -1.748600    
 S   0.7375000       1.526900       2.932500    
 N   -4.310300      0.6354000     -0.2755000    
 N    1.315800      0.2940000      0.6346000    
 C   -3.159700       1.525000     -0.4027000    
 C   -3.971200     -0.7118000     -0.7355000    
 C   -5.450300       1.158700      -1.029000    
 C   -1.990800      0.9780000      0.4069000    
 C    2.570300      0.6717000      2.4900001E-02
 C   0.8695000      -1.077600      0.5436000    
 C    3.167900     -5.9599999E-02  -1.013900    
 C    1.316600      -1.964200     -0.4485000    
 C   0.5636000       1.223700       1.303100    
 C   -5.139200      -1.665500     -0.5497000    
 C   -5.818700       2.558000     -0.5660000    
 C    3.263800       1.813300      0.4857000    
 C  -4.3800000E-02  -1.587300       1.493800    
 C    4.393600      0.3539000      -1.570200    
 C   0.8500000      -3.292300     -0.4880000    
 C    4.483000       2.215900     -6.7199998E-02
 C  -0.4999000      -2.908200       1.452100    
 C    5.048300       1.486100      -1.099300    
 C  -5.3800002E-02  -3.762300      0.4578000    
 H   -3.386600       2.516000      5.1000002E-03
 H   -2.875000       1.650800      -1.456300    
 H   -3.641400     -0.7219000      -1.781800    
 H   -3.177100      -1.155100     -0.1296000    
 H   -5.258900       1.167100      -2.109400    
 H   -6.340800      0.5460000     -0.8553000    
 H   -1.649200      2.7700000E-02  3.0000000E-03
 H   -2.263500      0.8540000       1.460100    
 H   -5.570700      -1.589700      0.4544000    
 H   -5.929700      -1.508100      -1.289800    
 H   -4.794600      -2.698100     -0.6787000    
 H   -5.881400       2.623400      0.5257000    
 H   -5.121000       3.318000     -0.9313000    
 H   -6.804000       2.826600     -0.9640000    
 H    2.878400       2.439700       1.282800    
 H  -0.4419000     -0.9786000       2.298100    
 H    4.851700     -0.2039000      -2.385200    
 H    1.185000      -3.977400      -1.264900    
 H    4.983200       3.102700      0.3112000    
 H   -1.206000      -3.261300       2.198000    
 H    5.992700       1.794300      -1.536700    
 H  -0.4062000      -4.788100      0.4162000    


%chk=000072599-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072599

0 1
S -0.463472 2.257173 1.369213
S -0.430271 -2.392193 -0.096230
S 0.500665 1.138221 3.979115
N -3.527689 1.597477 -1.363695
N 0.821886 -0.210545 1.576520
C -2.804488 2.127369 -0.182419
C -3.229487 2.345358 -2.613582
C -4.976198 1.361348 -1.128019
C -1.431435 1.434006 -0.068902
C 1.187938 -0.124256 0.174220
C 1.004948 -1.525605 2.176528
C 0.702198 -1.096958 -0.732482
C 0.440359 -2.642283 1.506214
C 0.364132 0.901964 2.300259
C -3.389309 1.488708 -3.884358
C -5.243348 0.118111 -0.257998
C 2.068954 0.883971 -0.282953
C 1.743461 -1.735008 3.365391
C 1.056975 -1.046829 -2.097051
C 0.552569 -3.941104 2.043617
C 2.409310 0.947599 -1.650408
C 1.844496 -3.033981 3.910526
C 1.900285 -0.012143 -2.559202
C 1.239274 -4.134367 3.262812
H -3.384081 1.918282 0.733588
H -2.678454 3.235369 -0.233634
H -3.860211 3.266766 -2.695373
H -2.180192 2.691268 -2.554044
H -5.467016 2.256961 -0.670078
H -5.454975 1.211785 -2.112768
H -0.839300 1.537626 -0.991789
H -1.561586 0.366884 0.169159
H -2.728465 0.605882 -3.831001
H -4.426398 1.129433 -4.013169
H -3.126188 2.077978 -4.782749
H -4.822495 -0.781002 -0.740475
H -4.785545 0.210343 0.743830
H -6.330536 -0.028536 -0.116291
H 2.464263 1.613837 0.429311
H 2.207138 -0.882492 3.863539
H 0.680778 -1.810764 -2.784836
H 0.118225 -4.790011 1.505994
H 3.080482 1.737236 -2.003869
H 2.403394 -3.182144 4.840236
H 2.172773 0.033875 -3.618795
H 1.319535 -5.140406 3.687699


