%chk=000178620.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178620

0 1
 S   0.3812000      -2.134800     -0.4487000    
 P   0.3067000     -0.3720000      0.6669000    
 O   0.5091000     -0.7507000       2.113500    
 O   0.3837000      -1.730700      -1.840400    
 O  -0.6615000      -2.986100      8.8299997E-02
 N    1.448300      0.6528000      6.1400000E-02
 N   -1.154000      0.3523000      0.3452000    
 C    1.529200       2.017400      0.5774000    
 C    2.831600      0.1901000     -5.0500002E-02
 C   -1.459200      0.5992000      -1.070500    
 C   -2.321600     -0.2008000       1.044700    
 C    2.702400       2.601800     -0.1823000    
 C    3.655900       1.431700     -0.3615000    
 C   -2.658700       1.526800      -1.252700    
 C   -3.549400      0.7001000      0.9287000    
 C   -3.886500      0.9933000     -0.5270000    
 C    1.942800      -2.890300     -9.2500001E-02
 H    1.726600       2.010900       1.655900    
 H   0.6152000       2.589500      0.3937000    
 H    2.944200     -0.5060000     -0.8804000    
 H    3.176400     -0.2787000      0.8772000    
 H  -0.6023000       1.055700      -1.576500    
 H   -1.676100     -0.3443000      -1.582700    
 H   -2.558800      -1.198300      0.6581000    
 H   -2.090900     -0.3173000       2.109500    
 H    3.168000       3.437800      0.3480000    
 H    2.375600       2.964700      -1.164700    
 H    4.057900       1.413600      -1.380300    
 H    4.500400       1.511100      0.3319000    
 H   -2.881000       1.640500      -2.319700    
 H   -2.411300       2.524900     -0.8693000    
 H   -3.362900       1.643400       1.457700    
 H   -4.406300      0.2238000       1.418200    
 H   -4.704400       1.719500     -0.5858000    
 H   -4.233300      7.5000003E-02  -1.016500    
 H    1.837400      -3.963200     -0.2752000    
 H    2.720000      -2.508200     -0.7488000    
 H    2.185300      -2.730000      0.9587000    


%chk=000178620-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178620

0 1
S 0.927531 -2.336609 -0.969045
P 0.490326 -0.362655 0.757595
O 0.675529 -0.981690 2.230876
O 2.223999 -2.093932 -1.963324
O -0.549104 -2.670422 -1.635369
N 1.538056 0.853927 0.153987
N -1.116477 0.145760 0.364464
C 1.235358 2.313777 0.033585
C 3.003356 0.560398 -0.027879
C -1.501532 0.459064 -1.043583
C -2.242195 -0.318841 1.219044
C 2.510347 2.864346 -0.644793
C 3.640329 1.969872 -0.074607
C -2.575840 1.567515 -1.039595
C -3.329308 0.777655 1.259778
C -3.786785 1.154112 -0.168938
C 1.367584 -3.868784 0.106474
H 1.084855 2.766298 1.034772
H 0.327351 2.492468 -0.566156
H 3.157117 -0.004781 -0.964089
H 3.391205 -0.038859 0.816626
H -0.603074 0.767077 -1.606438
H -1.886582 -0.462194 -1.524514
H -2.668125 -1.253832 0.796750
H -1.852729 -0.541079 2.227377
H 2.659267 3.935808 -0.427278
H 2.439162 2.736778 -1.739977
H 4.549946 1.984576 -0.697655
H 3.912203 2.303105 0.943638
H -2.892813 1.759130 -2.082427
H -2.138483 2.505912 -0.644297
H -2.921962 1.670104 1.772896
H -4.183984 0.408135 1.858080
H -4.530243 1.971967 -0.132404
H -4.288858 0.281510 -0.634611
H 1.423730 -4.706433 -0.603359
H 2.333128 -3.656802 0.585037
H 0.557416 -3.987880 0.838359


