%chk=000038673.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038673

0 1
 S  -0.4764000       1.085800     -0.9551000    
 S   -2.465400       1.393900     -0.5374000    
 N    2.052700     -0.2794000      0.1142000    
 N   -4.964600      -1.646300      0.4344000    
 N    3.643400      -1.853800     -0.5090000    
 N    4.411000      0.1650000      0.2191000    
 C   0.2717000       1.255000      0.6893000    
 C    1.778000       1.060400      0.6173000    
 C   -3.033200     -0.2877000     -0.1876000    
 C   -4.518000     -0.2851000      0.1538000    
 C    3.300700     -0.6079000     -3.9000001E-02
 H  -0.1669000      0.5075000       1.359200    
 H   5.3399999E-02   2.252000       1.085600    
 H    2.192400       1.180300       1.625700    
 H    2.222200       1.827100     -2.9999999E-02
 H   -2.851400     -0.9144000      -1.068100    
 H   -2.457800     -0.6930000      0.6523000    
 H   -4.711000      0.3344000       1.036900    
 H   -5.108300      0.1175000     -0.6775000    
 H   -4.824100      -2.230500     -0.3890000    
 H   -5.968000      -1.642100      0.6134000    
 H    2.933000      -2.538100     -0.7449000    
 H    4.612400      -2.125000     -0.6351000    
 H    5.346100     -0.1949000      6.1700001E-02
 H    4.340500       1.111600      0.5751000    


%chk=000038673-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038673

0 1
S -0.656236 0.706148 -0.342251
S -2.505926 1.779252 0.473601
N 2.145782 -0.251207 -0.153399
N -5.072798 -1.470912 -0.119092
N 3.696060 -1.515069 -1.381920
N 4.525351 0.208699 -0.016782
C 0.355137 0.561807 1.271713
C 1.834500 0.725190 0.907748
C -3.645980 0.303059 0.824565
C -4.198957 -0.330632 -0.463666
C 3.395762 -0.477880 -0.487671
H 0.165200 -0.434219 1.702014
H -0.003805 1.352090 1.950161
H 2.449568 0.577906 1.830001
H 1.997837 1.770643 0.559794
H -3.079267 -0.426434 1.427472
H -4.467198 0.711106 1.440619
H -4.802139 0.424372 -0.999595
H -3.343284 -0.595609 -1.125502
H -4.575985 -2.310242 0.191623
H -5.805815 -1.678938 -0.800890
H 2.889536 -2.055232 -1.692131
H 4.468110 -1.402014 -2.037403
H 5.443600 -0.229000 -0.033524
H 4.403347 1.049417 0.539814


