%chk=000051632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051632

0 1
 S   -9.230500      -1.043500     -0.6382000    
 O   -3.391100      0.4650000       2.226000    
 O   -9.870700      -1.693800      0.4963000    
 O   -9.891300      7.4400000E-02  -1.297800    
 N    3.488900       1.538900     -0.5332000    
 N   0.7439000       1.039300      0.2678000    
 N    7.183400       1.034600     -0.2860000    
 N   -2.985000       1.268100      9.0400003E-02
 C    3.139400      0.3687000      0.3167000    
 C    1.681300     -7.4000001E-02  7.8199998E-02
 C    4.082500     -0.8415000      4.0700000E-02
 C    2.513800       2.625400     -0.3682000    
 C    4.855900       2.047200     -0.2594000    
 C    5.501500     -0.4046000     -5.4200001E-02
 C    1.085900       2.144900     -0.6327000    
 C    5.825800      0.9227000     -0.2142000    
 C    6.715300      -1.143100     -3.5799999E-02
 C  -0.6330000      0.5998000      4.7499999E-02
 C    7.755100     -0.2169000     -0.1819000    
 C   -1.622100       1.717700      0.3434000    
 C    7.037900      -2.509400      8.8399999E-02
 C    9.102300     -0.5951000     -0.2060000    
 C    8.381500      -2.899700      6.4900003E-02
 C    9.396100      -1.955800     -7.9700001E-02
 C   -3.752600      0.6750000       1.071100    
 C   -5.111100      0.2486000      0.6470000    
 C   -5.717100     -0.7992000       1.308500    
 C   -5.723400      0.9143000     -0.3947000    
 C   -7.633600     -0.5428000     -0.1401000    
 C   -6.992700      -1.199400      0.9104000    
 C   -6.998900      0.5141000     -0.7926000    
 C   -8.937400      -2.279800      -1.882800    
 H    3.247300      0.6584000       1.373200    
 H    1.576400     -0.4934000     -0.9323000    
 H    1.443100     -0.8764000      0.7880000    
 H    3.809500      -1.327200     -0.9049000    
 H    3.968000      -1.584000      0.8391000    
 H    2.743000       3.432800      -1.074400    
 H    2.573300       3.050700      0.6431000    
 H    4.889800       2.575700      0.7020000    
 H    5.144100       2.753000      -1.047100    
 H   0.4509000       3.019100     -0.4654000    
 H   0.9768000       1.850800      -1.685200    
 H  -0.7738000      0.2376000     -0.9801000    
 H  -0.8573000     -0.2469000      0.7095000    
 H    7.696500       1.898600     -0.3958000    
 H   -1.539700       2.052000       1.383600    
 H   -1.500400       2.583400     -0.3114000    
 H    6.257800      -3.256900      0.2019000    
 H    9.893800      0.1381000     -0.3195000    
 H    8.635000      -3.952200      0.1607000    
 H    10.43310      -2.281500     -9.5200002E-02
 H   -3.312700       1.337700     -0.8667000    
 H   -5.229000      -1.325100       2.123600    
 H   -5.281200       1.763300     -0.9054000    
 H   -7.464600      -2.030300       1.427400    
 H   -7.480900       1.040300      -1.611800    
 H   -8.384200      -1.828600      -2.708700    
 H   -8.372600      -3.102300      -1.440000    
 H   -9.905600      -2.641000      -2.236200    


%chk=000051632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051632

0 1
S -9.590516 -0.989532 -0.231836
O -2.988582 -0.510458 1.726753
O -10.043071 -2.132869 0.846942
O -10.354146 0.452148 -0.368082
N 3.612234 1.522615 -0.755480
N 0.806467 1.025949 -0.182176
N 7.336766 1.142491 -0.152313
N -2.980677 1.210510 0.165462
C 3.208957 0.378015 0.124110
C 1.785616 -0.082984 -0.252930
C 4.186789 -0.818659 -0.023456
C 2.607138 2.614920 -0.733077
C 4.952568 2.085102 -0.428730
C 5.616971 -0.352819 -0.000847
C 1.213223 2.102534 -1.114651
C 5.942070 0.980579 -0.209231
C 6.860657 -1.074301 0.187420
C -0.596371 0.594523 -0.354239
C 7.927882 -0.106931 0.090466
C -1.564190 1.542913 0.400907
C 7.188469 -2.434009 0.430138
C 9.285501 -0.464734 0.227335
C 8.543383 -2.797092 0.568204
C 9.580653 -1.823782 0.467928
C -3.606855 0.195819 0.868214
C -5.069008 -0.041561 0.559952
C -5.606591 -1.301230 0.930744
C -5.913291 0.939017 -0.025788
C -7.748795 -0.620257 0.065522
C -6.961900 -1.604699 0.685362
C -7.273652 0.654371 -0.278276
C -9.638054 -1.809505 -1.963958
H 3.195102 0.706560 1.194842
H 1.827413 -0.526031 -1.281051
H 1.476078 -0.876915 0.451146
H 3.969402 -1.348821 -0.973970
H 3.988091 -1.537100 0.796707
H 2.926451 3.393808 -1.452552
H 2.542341 3.087750 0.280486
H 4.904955 2.736073 0.486925
H 5.260693 2.742090 -1.268394
H 0.493797 2.940011 -1.054137
H 1.230911 1.737306 -2.173078
H -0.893744 0.536543 -1.432022
H -0.717299 -0.416169 0.074101
H 7.838640 2.018734 -0.277148
H -1.360148 1.458354 1.480875
H -1.398524 2.591994 0.097034
H 6.400462 -3.191907 0.507941
H 10.087549 0.278446 0.151034
H 8.809463 -3.843422 0.755885
H 10.624847 -2.136819 0.579610
H -3.471551 1.671435 -0.600928
H -4.943462 -2.017547 1.425760
H -5.538619 1.944641 -0.248308
H -7.405507 -2.557743 0.992503
H -7.957655 1.404715 -0.689179
H -9.235542 -1.077850 -2.677653
H -9.036012 -2.726248 -1.902425
H -10.701375 -2.022169 -2.142593


