%chk=000032248.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032248

0 1
 S   -3.581000      0.8867000     -0.1919000    
 O   -2.667700       4.200700      -1.561900    
 N    1.031600     -0.2586000      0.6619000    
 N    4.662000     -0.6945000     -8.5299999E-02
 N   0.2472000      -1.354400      0.5807000    
 C  -0.9473000      0.5502000      0.2802000    
 C   0.3660000      0.9239000      0.4886000    
 C    2.444800     -0.4227000      0.9127000    
 C  -0.9735000     -0.8561000      0.3453000    
 C    3.241600     -0.5570000     -0.3817000    
 C   -1.944800       1.498700      6.0800001E-02
 C   -2.204000      -1.612200      0.1695000    
 C   -1.573800       2.846000      5.8100000E-02
 C   0.7673000       2.259300      0.4918000    
 C   -3.417600     -0.9190000     -7.4800000E-02
 C    5.152800      0.4766000      0.6438000    
 C    5.430400     -0.8835000      -1.317100    
 C  -0.2378000       3.214500      0.2706000    
 C   -2.201900      -3.012200      0.2388000    
 C   -2.580500       3.927700     -0.1699000    
 C   -4.598800      -1.658100     -0.2433000    
 C    6.616600      0.3169000       1.017700    
 C    4.938000      -2.094700      -2.090900    
 C   -3.387700      -3.726200      6.8400003E-02
 C   -4.581900      -3.051800     -0.1720000    
 H    2.720500      0.4442000       1.517200    
 H    2.568300      -1.311000       1.544900    
 H    2.847900      -1.442700     -0.8919000    
 H    3.051300      0.3028000      -1.038200    
 H    1.797600       2.555000      0.6517000    
 H    4.646600      0.5937000       1.604600    
 H    5.010500       1.404900      7.6499999E-02
 H    6.481600      -1.086600      -1.088100    
 H    5.396200      3.7000000E-03  -1.961900    
 H   4.5000002E-02   4.265700      0.2640000    
 H   -1.285200      -3.566400      0.4250000    
 H   -3.575000       3.679200      0.2109000    
 H   -2.283300       4.851100      0.3407000    
 H   -5.547900      -1.160900     -0.4323000    
 H    6.815400     -0.6581000       1.475900    
 H    7.284400      0.4507000      0.1612000    
 H    6.894500       1.083500       1.750100    
 H    4.818700      -2.971300      -1.444800    
 H    3.995900      -1.903800      -2.614200    
 H    5.671100      -2.357900      -2.862100    
 H   -3.379400      -4.811100      0.1231000    
 H   -5.503300      -3.611700     -0.3042000    
 H   -1.766300       4.270900      -1.919800    


%chk=000032248-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032248

0 1
S -3.686740 0.995458 -0.235822
O -3.586948 4.164906 -0.733273
N 1.105752 -0.064699 0.594341
N 4.758079 -0.589177 -0.305345
N 0.325659 -1.188360 0.254954
C -0.975670 0.711172 0.291669
C 0.353642 1.107966 0.624207
C 2.546972 -0.242202 0.790238
C -0.939197 -0.705181 0.078652
C 3.304736 -0.453842 -0.546566
C -2.041700 1.627507 0.239423
C -2.128923 -1.486866 -0.241888
C -1.782601 2.985825 0.544358
C 0.647247 2.464458 0.916297
C -3.391675 -0.831124 -0.377618
C 5.469703 0.717210 -0.290582
C 5.415773 -1.616620 -1.156315
C -0.436635 3.363155 0.870521
C -2.073477 -2.897217 -0.414376
C -2.882784 4.027879 0.561278
C -4.554260 -1.580295 -0.678549
C 6.742851 0.702967 0.577130
C 5.080454 -3.055413 -0.719883
C -3.229444 -3.639158 -0.715121
C -4.475470 -2.978168 -0.847386
H 2.932452 0.648486 1.316797
H 2.716291 -1.119007 1.436705
H 2.913597 -1.376406 -1.009178
H 3.065193 0.383523 -1.244867
H 1.653076 2.809513 1.171580
H 4.774486 1.475151 0.118916
H 5.721708 1.054861 -1.327842
H 6.508124 -1.469901 -1.074535
H 5.157690 -1.478111 -2.236488
H -0.251891 4.420171 1.100419
H -1.101159 -3.387966 -0.302827
H -3.694365 3.744589 1.255447
H -2.469765 5.004919 0.886535
H -5.518785 -1.070595 -0.781284
H 6.492254 0.424481 1.615501
H 7.488278 -0.021415 0.202639
H 7.220044 1.700864 0.580316
H 5.398066 -3.219044 0.324538
H 3.996598 -3.262111 -0.782058
H 5.598123 -3.786844 -1.368267
H -3.166458 -4.724705 -0.844786
H -5.382505 -3.546301 -1.079614
H -2.911296 4.279770 -1.449590


