%chk=000097589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097589

0 1
 S    4.238500     -5.0000002E-04 -0.2877000    
 O    4.816000       1.259800      0.1583000    
 O    4.817900      -1.259600      0.1589000    
 N    4.172200     -2.7000001E-03  -1.995100    
 N   -1.539000      1.8000000E-03   1.066900    
 N   -2.223500      6.9999998E-04  1.9300001E-02
 N   -4.647700       2.201700     -0.7288000    
 N   -4.644100      -2.204900     -0.7265000    
 C    2.538800      5.0000002E-04  0.1113000    
 C    1.859700       1.208700      0.2693000    
 C    1.859700      -1.207300      0.2717000    
 C  -0.1773000      1.5000000E-03  0.7481000    
 C   0.5017000       1.209200      0.5877000    
 C   0.5016000      -1.206800      0.5901000    
 C   -3.658000     -3.0000001E-04  0.3037000    
 C   -4.209200       1.228000     -0.2742000    
 C   -4.207300      -1.229900     -0.2730000    
 H    2.367100       2.161000      0.1426000    
 H    2.366900      -2.159900      0.1471000    
 H  -1.8900000E-02   2.155800      0.7078000    
 H  -1.9200001E-02  -2.153100      0.7121000    
 H    4.448500      0.8576000      -2.484000    
 H    4.448100     -0.8643000      -2.481800    
 H   -3.857000       0.000000       1.384100    


%chk=000097589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097589

0 1
S 4.369331 -0.305362 -0.213052
O 5.098193 0.639778 0.893499
O 4.639498 -1.902491 -0.370469
N 4.686941 0.454758 -1.851732
N -1.613739 0.546690 0.537543
N -2.434405 -0.343250 0.077542
N -5.154649 0.410982 -1.936912
N -4.982480 -1.774438 1.948344
C 2.503384 -0.067841 -0.011275
C 2.059528 1.094867 0.635025
C 1.654495 -1.083489 -0.489993
C -0.219734 0.260081 0.312712
C 0.667542 1.254049 0.797564
C 0.268455 -0.914964 -0.325397
C -3.878601 0.086517 0.385061
C -4.599163 0.251716 -0.895350
C -4.504027 -0.948018 1.236351
H 2.775500 1.829466 1.015487
H 2.074967 -1.981947 -0.952532
H 0.249071 2.134854 1.293429
H -0.439949 -1.670758 -0.676382
H 5.338254 1.246883 -1.723948
H 5.047248 -0.275957 -2.487481
H -3.870160 1.054877 0.929865


