%chk=000026035.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026035

0 1
 S   0.1209000       2.874100       1.058400    
 O   -5.604000     -0.4306000     -0.2925000    
 N   0.4471000      5.6499999E-02 -0.2140000    
 N    1.945600      -3.338800      0.2893000    
 C    1.712800      -1.941400      0.5823000    
 C   0.6810000      -1.380800     -0.4048000    
 C  -0.8874000      0.4756000      1.8300001E-02
 C    1.562800      0.9222000     -0.3424000    
 C    1.297300      -1.782400       2.042900    
 C   -1.165100       1.742400      0.5691000    
 C    1.527600       2.233200      0.1725000    
 C   -1.994700     -0.3324000     -0.3209000    
 C    3.010500      -3.885100       1.139500    
 C    2.289800      -3.530500      -1.124800    
 C    2.739700      0.5302000      -1.017300    
 C   -3.310400      8.5600004E-02 -0.1031000    
 C   -2.490900       2.156000      0.7907000    
 C    2.634000       3.090400      3.5500001E-02
 C   -3.558500       1.329800      0.4562000    
 C    3.834700       1.387700      -1.154800    
 C    3.783000       2.668100     -0.6250000    
 C   -4.420200     -0.7801000     -0.4698000    
 C   -4.155600      -2.149700      -1.085400    
 H    2.664300      -1.410400      0.4910000    
 H  -0.2064000      -1.997600     -0.2411000    
 H   0.9356000      -1.513900      -1.460500    
 H   0.4512000      -2.432700       2.293800    
 H    2.115000      -1.992700       2.739600    
 H   0.9881000     -0.7537000       2.257000    
 H   -1.841800      -1.273500     -0.8340000    
 H    3.937100      -3.303000       1.075400    
 H    2.702700      -3.958900       2.186900    
 H    3.243700      -4.915600      0.8450000    
 H    2.649300      -4.553800      -1.292800    
 H    1.415300      -3.449400      -1.777600    
 H    3.079900      -2.852300      -1.465100    
 H    2.828300     -0.4378000      -1.501200    
 H   -2.705500       3.129500       1.226900    
 H    2.611700       4.099300      0.4426000    
 H   -4.570100       1.681900      0.6384000    
 H    4.720900       1.053800      -1.686500    
 H    4.630600       3.338400     -0.7294000    
 H   -3.567600      -2.767500     -0.4016000    
 H   -3.657400      -2.040400      -2.052200    
 H   -5.111900      -2.655400      -1.253900    


%chk=000026035-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026035

0 1
S 0.275844 2.610199 1.517005
O -5.697862 -0.161135 -0.410646
N 0.454132 -0.023309 -0.027725
N 2.167716 -3.401090 0.267127
C 1.864867 -2.000304 0.701645
C 0.702007 -1.473695 -0.197836
C -0.885417 0.445676 0.145246
C 1.484346 0.906477 -0.372530
C 1.438822 -1.893622 2.178321
C -1.133147 1.680668 0.810725
C 1.506148 2.202291 0.212612
C -2.002046 -0.281460 -0.340602
C 2.785368 -4.270832 1.293011
C 2.968494 -3.441624 -0.978365
C 2.502544 0.585006 -1.311213
C -3.329291 0.173094 -0.125402
C -2.447529 2.159999 0.995209
C 2.486981 3.150295 -0.136379
C -3.546133 1.403205 0.549494
C 3.508564 1.520303 -1.635331
C 3.506129 2.808233 -1.055099
C -4.524832 -0.598331 -0.608182
C -4.309179 -1.919543 -1.342180
H 2.762804 -1.350092 0.558212
H -0.200663 -2.016884 0.122416
H 0.874790 -1.737011 -1.260065
H 0.598324 -2.578147 2.398082
H 2.268960 -2.118740 2.868894
H 1.103512 -0.861378 2.380488
H -1.835205 -1.205971 -0.899535
H 3.798411 -3.927658 1.622483
H 2.140841 -4.347293 2.182003
H 2.894369 -5.287029 0.872484
H 3.069526 -4.487797 -1.317725
H 2.470908 -2.881097 -1.788482
H 3.997086 -3.018611 -0.848917
H 2.507445 -0.396173 -1.794301
H -2.601251 3.118717 1.501258
H 2.461519 4.144986 0.321075
H -4.575366 1.741891 0.700777
H 4.287968 1.242136 -2.353038
H 4.280899 3.537828 -1.310872
H -3.768161 -2.645878 -0.707148
H -3.711643 -1.771708 -2.261280
H -5.288599 -2.340293 -1.615114


