%chk=000067124.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067124

0 1
 S   -5.349000      7.5300001E-02  0.2445000    
 O   -5.991800     -1.7100001E-02  -1.256000    
 O   -5.682200      -1.166900      0.9262000    
 O   -5.722900       1.359100      0.8175000    
 N   0.5283000      0.2150000     -0.5762000    
 N    1.112200      0.2923000      0.5303000    
 N    6.655700      0.5023000     -0.2377000    
 C   -1.515300      -1.052900     -0.2262000    
 C   -3.620400      0.1106000      1.5000000E-03
 C  -0.8629000      0.1671000     -0.3828000    
 C   -2.896500      -1.081200     -3.3700000E-02
 C   -2.963100       1.330700     -0.1558000    
 C   -1.581700       1.359100     -0.3483000    
 C    4.617600     -0.7944000      0.1096000    
 C  -0.7615000      -2.342200     -0.2604000    
 C    2.496700      0.3398000      0.3383000    
 C    5.258400      0.4350000     -4.4300001E-02
 C    3.236700     -0.8420000      0.3009000    
 C    3.137400       1.569100      0.1846000    
 C    4.518300       1.616700     -6.8999999E-03
 C    5.386000      -2.075400      7.5000003E-02
 H   -3.403900      -2.035500      8.2300000E-02
 H   -3.506400       2.271300     -0.1396000    
 H   -1.078600       2.314400     -0.4722000    
 H  -0.1329000      -2.400000      -1.155300    
 H  -0.1314000      -2.437900      0.6298000    
 H   -1.434100      -3.206500     -0.2864000    
 H    2.730000      -1.796800      0.4225000    
 H    2.569400       2.495500      0.2131000    
 H    5.005000       2.581500     -0.1251000    
 H    5.889200      -2.195700     -0.8901000    
 H    6.128400      -2.100100      0.8795000    
 H    4.733600      -2.945200      0.2100000    
 H    7.218100     -0.3364000     -0.2710000    
 H    7.102300       1.403200     -0.3488000    
 H   -5.749800     -0.8227000      -1.770600    


%chk=000067124-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067124

0 1
S -5.472697 -0.237915 0.643430
O -5.722337 1.544839 0.158775
O -6.286362 -1.166807 -0.404392
O -5.748411 -0.367005 2.233763
N 0.453981 -0.503511 -0.622068
N 1.282426 -0.181056 0.350768
N 6.836746 -0.376156 -0.595740
C -1.860053 -0.768178 -1.291718
C -3.643583 -0.293833 0.284406
C -0.927773 -0.415262 -0.260264
C -3.241714 -0.696842 -0.998165
C -2.755627 0.054992 1.317553
C -1.383286 -0.013698 1.029802
C 4.948113 0.060896 0.903998
C -1.388982 -1.204070 -2.663929
C 2.654391 -0.255925 0.025412
C 5.466708 -0.331531 -0.378140
C 3.555628 0.089173 1.074125
C 3.184607 -0.642738 -1.244037
C 4.566165 -0.678324 -1.437033
C 5.895824 0.430133 2.029388
H -3.989617 -0.966041 -1.750915
H -3.129781 0.349769 2.302554
H -0.633351 0.241019 1.783864
H -0.778570 -0.416790 -3.140231
H -0.744668 -2.098158 -2.595457
H -2.245638 -1.433813 -3.319617
H 3.121635 0.382752 2.036547
H 2.489022 -0.905971 -2.046341
H 4.978606 -0.974877 -2.409629
H 6.561799 -0.413416 2.302716
H 6.540179 1.291921 1.761167
H 5.337700 0.711148 2.937067
H 7.495228 -0.135141 0.139477
H 7.208810 -0.653821 -1.500290
H -6.686216 1.763338 0.321353


