%chk=000063494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063494

0 1
 S    1.665500      -1.941900     -0.6459000    
 O  -0.8265000      -2.685200     -8.0899999E-02
 N  -0.4038000     -0.3699000      2.8300000E-02
 N   -2.258600       1.134600      0.1003000    
 N    1.882400      0.1382000      0.8348000    
 N    3.161000     -0.3808000      0.7294000    
 C    4.394500      -2.259100     -0.3217000    
 C  -0.9790000      0.9190000      6.6900000E-02
 C   -2.673200      -1.270400     -5.5900000E-02
 C   -1.216100      -1.519900     -6.0500000E-02
 C    1.014300     -0.5818000      0.1651000    
 C    3.187700      -1.465600     -1.4800000E-02
 C   -3.130800      4.2599998E-02  5.5399999E-02
 C  -0.1186000       2.123900     -1.2300000E-02
 C    5.049100      -2.873800      0.9370000    
 C    5.458200      -1.460100      -1.109700    
 C   -3.577100      -2.337400     -0.1283000    
 C   -4.510200      0.2787000      9.3400002E-02
 C   0.3214000       2.734900       1.156400    
 C   0.2415000       2.630800      -1.255900    
 C   -4.948400      -2.088200     -8.9599997E-02
 C   -5.415300     -0.7811000      2.2900000E-02
 C    1.132100       3.867500       1.080700    
 C    1.052100       3.763400      -1.331600    
 C    1.497600       4.381800     -0.1634000    
 H    4.119200      -3.108000     -0.9631000    
 H    5.401900      -2.092900       1.619800    
 H    5.903200      -3.502500      0.6644000    
 H    4.329700      -3.494800       1.482100    
 H    5.033300      -1.063100      -2.038200    
 H    6.309900      -2.097100      -1.370300    
 H    5.830200     -0.6128000     -0.5230000    
 H   -3.234400      -3.365100     -0.2110000    
 H   -4.889100       1.294900      0.1748000    
 H   4.1400000E-02   2.341700       2.130000    
 H  -9.9900000E-02   2.155000      -2.171300    
 H   -5.652100      -2.913600     -0.1450000    
 H   -6.483200     -0.5859000      5.2999999E-02
 H    1.479000       4.348800       1.990400    
 H    1.337000       4.163400      -2.300200    
 H    2.129000       5.263400     -0.2224000    


%chk=000063494-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063494

0 1
S 1.879409 -1.666107 -1.245435
O -0.878755 -2.746538 -0.467602
N -0.458179 -0.445637 -0.146908
N -2.246486 1.118906 0.261489
N 1.646591 -0.226379 0.997524
N 3.008901 -0.549627 0.902349
C 4.698280 -1.822865 -0.477505
C -0.972549 0.887136 -0.004125
C -2.754266 -1.296449 0.059032
C -1.344194 -1.601287 -0.221679
C 0.932544 -0.699160 -0.024354
C 3.324410 -1.274310 -0.170501
C -3.147160 0.047497 0.353273
C -0.073752 2.051678 -0.228718
C 4.724694 -3.363561 -0.253864
C 5.783220 -1.114540 0.368128
C -3.710521 -2.344954 0.087746
C -4.501391 0.317285 0.692243
C -0.281223 3.222476 0.545089
C 0.919260 2.055793 -1.243967
C -5.045680 -2.064030 0.421720
C -5.437222 -0.729783 0.729144
C 0.508183 4.369262 0.326368
C 1.696868 3.210157 -1.470319
C 1.502376 4.366919 -0.680245
H 4.906612 -1.633648 -1.550303
H 4.521782 -3.601232 0.805380
H 5.722368 -3.759087 -0.515407
H 3.972015 -3.881620 -0.874482
H 5.781420 -0.024945 0.194142
H 6.777790 -1.515835 0.102963
H 5.607536 -1.279256 1.444316
H -3.375662 -3.361234 -0.143442
H -4.782910 1.352156 0.907700
H -1.063980 3.214216 1.309259
H 1.063359 1.177478 -1.881766
H -5.786297 -2.869919 0.448145
H -6.479705 -0.517479 0.990270
H 0.349567 5.263264 0.938949
H 2.452128 3.208124 -2.263701
H 2.115517 5.258735 -0.850806


