%chk=000003475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003475

0 1
 S    1.874000       1.961700      0.5673000    
 O  -6.4700000E-02   1.208100      -1.738600    
 O    2.023600       2.832700     -0.5825000    
 O    2.185900       2.442500       1.899300    
 N   -2.573700      0.1108000      -1.311800    
 N   -1.702300      0.4515000     -0.2894000    
 N   0.3043000       1.285200      0.5657000    
 C   -4.078000      -1.488000     -0.3270000    
 C   -4.719600     -9.4099998E-02 -0.2436000    
 C   -3.704600      -1.863900       1.109100    
 C   -4.695700      0.2900000       1.238000    
 C   -2.896600      -1.325900      -1.278800    
 C   -3.870900      0.7898000      -1.152400    
 C   -4.655600      -1.043800       1.964800    
 C  -0.4726000      0.9928000     -0.6008000    
 C    2.863100      0.5218000      0.2986000    
 C    3.167900      0.1439000     -0.9977000    
 C    3.314700     -0.2019000       1.388900    
 C    4.411600      -1.733600     -0.1238000    
 C    3.948100     -0.9926000      -1.210600    
 C    4.094900      -1.338300       1.176000    
 C    5.246300      -2.948600     -0.3508000    
 H   -4.795000      -2.215700     -0.7258000    
 H   -5.756100     -0.1283000     -0.6007000    
 H   -2.665200      -1.615700       1.347500    
 H   -3.827300      -2.937200       1.287000    
 H   -5.581400      0.8713000       1.514500    
 H   -3.821700      0.8950000       1.498900    
 H   -2.039000      -1.956600      -1.017000    
 H   -3.206500      -1.622100      -2.289100    
 H   -4.342900      0.8453000      -2.141700    
 H   -3.778500       1.820900     -0.7916000    
 H   -5.651200      -1.502800       1.977700    
 H   -4.308100     -0.9456000       2.997000    
 H   -1.971600      0.2965000      0.6744000    
 H  -0.1289000       1.111800       1.481600    
 H    2.814000      0.7054000      -1.856700    
 H    3.072900      8.4399998E-02   2.407700    
 H    4.189000      -1.289900      -2.227800    
 H    4.450400      -1.907700       2.030900    
 H    5.088300      -3.689800      0.4400000    
 H    4.989700      -3.433000      -1.299200    
 H    6.306500      -2.677500     -0.3710000    


%chk=000003475-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003475

0 1
S 1.910232 1.420277 1.146141
O 0.208731 0.210168 -1.192906
O 1.788224 2.747427 0.233146
O 2.159717 1.526786 2.752576
N -2.524590 -0.556617 -0.912288
N -1.723756 -0.071472 0.147511
N 0.317544 0.491619 1.127095
C -4.657723 -1.475591 -0.101277
C -4.899652 0.006717 -0.605928
C -4.825299 -1.422592 1.448783
C -5.197353 0.843501 0.676345
C -3.231979 -1.844860 -0.619797
C -3.595710 0.386453 -1.376144
C -5.726470 -0.188441 1.703405
C -0.369595 0.212124 -0.076395
C 3.185030 0.238272 0.419466
C 3.284970 0.104850 -0.973726
C 4.018170 -0.421525 1.336475
C 5.168528 -1.447860 -0.589249
C 4.292715 -0.752916 -1.465978
C 5.015192 -1.272581 0.811739
C 6.264427 -2.341271 -1.140538
H -5.410978 -2.161590 -0.529276
H -5.771138 0.049185 -1.284138
H -3.840963 -1.272356 1.938461
H -5.245274 -2.358212 1.859213
H -5.906868 1.668179 0.485953
H -4.264442 1.305615 1.059134
H -2.636762 -2.444123 0.088500
H -3.299250 -2.405120 -1.571681
H -3.723494 0.225598 -2.463083
H -3.266414 1.426413 -1.220573
H -6.781819 -0.438632 1.479383
H -5.684142 0.174152 2.746489
H -2.134832 0.135947 1.067490
H -0.094586 0.452613 2.066915
H 2.587476 0.621987 -1.637470
H 3.895205 -0.261775 2.412427
H 4.392749 -0.887515 -2.548842
H 5.682529 -1.803557 1.500123
H 6.517774 -3.154227 -0.438352
H 5.971373 -2.795699 -2.102696
H 7.190001 -1.760550 -1.319935


