%chk=000003089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003089

0 1
 S    3.810500      0.6114000     -0.9237000    
 S   -1.818800       2.612500       1.130800    
 O    3.607900     -0.3482000      -2.003600    
 O    4.629200       1.790000      -1.185900    
 N   -1.297200     -0.1108000     -0.2747000    
 N  -0.2315000      -3.630300      0.4073000    
 N    4.456200     -0.2220000      0.4481000    
 C  -0.4274000      -2.207400      0.6912000    
 C   -1.062900      -1.537600     -0.5315000    
 C  -0.1593000      0.7156000     -9.3500003E-02
 C   -2.639900      0.3443000     -0.2949000    
 C  -0.2716000       1.983900      0.5096000    
 C   -1.296100      -2.071400       1.941700    
 C    1.124300      0.3284000     -0.5369000    
 C   -2.998000       1.575900      0.2886000    
 C    2.243600       1.148400     -0.3704000    
 C   0.8589000       2.803000      0.6792000    
 C   -3.668600     -0.3888000     -0.9260000    
 C    2.111300       2.385900      0.2411000    
 C   0.5968000      -3.802500     -0.7850000    
 C   -1.520700      -4.298000      0.2365000    
 C   -4.329800       2.026200      0.2589000    
 C   -4.989700      6.5800004E-02 -0.9570000    
 C   -5.321300       1.273100     -0.3613000    
 C    4.628700      0.5521000       1.703600    
 C    3.965400      -1.599400      0.7075000    
 H   0.5487000      -1.779200      0.9375000    
 H  -0.4794000      -1.626900      -1.452900    
 H   -1.981900      -2.063400     -0.7529000    
 H   -2.362700      -2.231000       1.751300    
 H  -0.9720000      -2.753300       2.736700    
 H   -1.204000      -1.058300       2.351200    
 H    1.274000     -0.6242000      -1.034800    
 H   0.7748000       3.777200       1.157000    
 H   -3.496300      -1.303700      -1.482600    
 H    2.964700       3.040400      0.3910000    
 H    1.502400      -3.187600     -0.7399000    
 H   7.7200003E-02  -3.609400      -1.729500    
 H   0.9419000      -4.842600     -0.8292000    
 H   -1.328900      -5.373600      0.1214000    
 H   -2.087400      -4.013300     -0.6545000    
 H   -2.169500      -4.242400       1.114800    
 H   -4.609200       2.972000      0.7188000    
 H   -5.753100     -0.5191000      -1.462000    
 H   -6.345700       1.631700     -0.3841000    
 H    5.016700       1.552000       1.490900    
 H    5.362000      5.0299998E-02   2.343000    
 H    3.683200      0.6322000       2.247200    
 H    3.960600      -2.188900     -0.2129000    
 H    2.961200      -1.578000       1.137400    
 H    4.637800      -2.103200       1.409200    


%chk=000003089-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003089

0 1
S 3.669745 0.538746 -1.021365
S -1.956667 2.308909 1.674480
O 3.336023 -0.691737 -2.034999
O 4.494390 1.867555 -1.461710
N -1.501794 -0.167429 -0.071429
N -0.273523 -3.792569 0.376712
N 4.712252 -0.240665 0.360562
C -0.577924 -2.391911 0.766148
C -1.337347 -1.611573 -0.365932
C -0.344872 0.641559 0.083589
C -2.776730 0.455288 -0.281812
C -0.409574 1.877921 0.795083
C -1.347515 -2.307735 2.099139
C 0.907162 0.262007 -0.474012
C -3.125885 1.638776 0.423214
C 2.009884 1.108207 -0.296346
C 0.707123 2.731540 0.897837
C -3.716029 -0.064221 -1.213361
C 1.956471 2.349364 0.357208
C 0.796691 -3.938194 -0.627972
C -1.421378 -4.682018 0.123468
C -4.363708 2.277686 0.219633
C -4.973608 0.552064 -1.391263
C -5.306459 1.723459 -0.676573
C 5.062445 0.761673 1.391332
C 4.090927 -1.487115 0.858190
H 0.405921 -1.908699 0.924018
H -0.835235 -1.770411 -1.343283
H -2.347383 -2.045430 -0.440969
H -2.374816 -2.707539 2.014068
H -0.813057 -2.883179 2.874071
H -1.429919 -1.256489 2.426107
H 1.023899 -0.648318 -1.068927
H 0.603220 3.690462 1.415237
H -3.460887 -0.939590 -1.817798
H 2.832697 3.000737 0.413856
H 1.662135 -3.311189 -0.348246
H 0.500719 -3.662618 -1.670846
H 1.135768 -4.990360 -0.651621
H -1.061441 -5.726185 0.073166
H -1.965821 -4.474690 -0.832039
H -2.145966 -4.621577 0.952655
H -4.592601 3.196984 0.768844
H -5.683769 0.123383 -2.106402
H -6.277535 2.207746 -0.818906
H 5.399384 1.684369 0.890169
H 5.915642 0.357254 1.965896
H 4.235622 0.993031 2.100409
H 3.780630 -2.097212 -0.006054
H 3.226406 -1.326415 1.542474
H 4.871387 -2.045850 1.406101


