%chk=000226989.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226989

0 1
 S   0.1921000      -2.467000     -0.5313000    
 O   0.1360000      -2.568300      -1.976700    
 O   0.5417000      -3.622100      0.2732000    
 N   -1.722900     -0.6038000     -0.6128000    
 N   -1.271900      -1.811000      4.4799998E-02
 N    4.025800       1.892000      0.7560000    
 C   -2.925600       1.475300     -0.6625000    
 C   -1.771900       2.382100      -1.083400    
 C   -2.469900      0.2155000      6.2399998E-02
 C  -0.9806000       2.928900      0.1063000    
 C   -2.937000      1.6400000E-02   1.494200    
 C   0.1090000       3.889600     -0.3427000    
 C   -4.241200     -0.7583000       1.573200    
 C    1.332400      -1.170200     -0.1479000    
 C    1.969900      -1.173300       1.080000    
 C    1.564600     -0.1781000      -1.083800    
 C    2.869200     -0.1506000       1.382000    
 C    2.463900      0.8446000     -0.7819000    
 C    3.116300      0.8582000      0.4510000    
 H   -3.480800       1.157900      -1.553500    
 H   -3.628200       2.028700     -3.0200001E-02
 H   -1.093100       1.837400      -1.750900    
 H   -2.181100       3.218800      -1.662700    
 H  -0.5183000       2.105700      0.6626000    
 H   -1.655600       3.448000      0.7965000    
 H   -3.076900       1.003800       1.949200    
 H   -2.159000     -0.4750000       2.085400    
 H   0.7965000       3.408700      -1.044300    
 H  -0.3232000       4.766000     -0.8362000    
 H   0.6877000       4.236700      0.5191000    
 H   -5.033200     -0.2473000       1.016000    
 H   -4.129700      -1.760200       1.146700    
 H   -4.563200     -0.8607000       2.613800    
 H   -1.652300      -2.084800      0.9557000    
 H    1.784700      -1.945800       1.819700    
 H    1.062300     -0.1664000      -2.046000    
 H    3.370000     -0.1500000       2.346800    
 H    2.648500       1.624700      -1.515900    
 H    4.497400       1.903800       1.650400    
 H    4.201900       2.626000      8.2900003E-02


%chk=000226989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226989

0 1
S 0.333477 -2.415313 -0.036271
O -0.142113 -2.756591 -1.555505
O 0.442460 -3.567211 1.113144
N -1.342904 -0.221291 -0.091448
N -0.884631 -1.153261 0.822918
N 5.515228 0.681935 -0.326399
C -2.801483 1.520896 -0.904159
C -2.064910 2.877680 -0.698841
C -2.443454 0.469524 0.133927
C -2.394872 3.604579 0.624774
C -3.342165 0.263047 1.347520
C -1.698112 4.978957 0.726145
C -4.415877 -0.835364 1.095402
C 1.911402 -1.446270 -0.117516
C 2.762834 -1.453233 1.002477
C 2.216176 -0.755036 -1.304221
C 3.971408 -0.741245 0.928881
C 3.425332 -0.042530 -1.371537
C 4.319009 -0.022234 -0.256818
H -2.541016 1.131993 -1.905274
H -3.896194 1.692206 -0.882681
H -0.974446 2.690014 -0.754402
H -2.320711 3.543685 -1.548455
H -2.086275 2.974744 1.482679
H -3.493582 3.739363 0.707647
H -3.852968 1.212554 1.586640
H -2.730680 -0.005453 2.232280
H -0.598731 4.867901 0.671734
H -2.009128 5.642896 -0.102664
H -1.939966 5.488347 1.677069
H -5.062839 -0.562605 0.242472
H -3.958730 -1.814652 0.862331
H -5.057611 -0.962554 1.985659
H -1.582024 -1.781011 1.283918
H 2.489750 -2.020803 1.897795
H 1.527079 -0.793023 -2.153383
H 4.654234 -0.738621 1.786287
H 3.685429 0.501743 -2.286666
H 6.160720 0.694443 0.458098
H 5.775183 1.187694 -1.168356


