%chk=000226987.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226987

0 1
 S   -1.154600       2.102900     -2.2000000E-02
 O  -0.8844000       2.490300      -1.393100    
 O   -1.848200       3.010100      0.8723000    
 N    1.482600       1.723400     -0.1061000    
 N   0.2903000       1.577200      0.7058000    
 N   -4.248400      -2.973400     -0.1392000    
 C    3.751800      -1.736300     -0.1846000    
 C    3.892500     -0.6058000      -1.219500    
 C    2.394400      -1.645400      0.5354000    
 C    3.660200      0.7816000     -0.6295000    
 C    2.132300     -0.2772000       1.157700    
 C    2.353700      0.7962000      0.1214000    
 C    4.920700      -1.753300      0.8033000    
 C   -2.074000      0.5940000     -5.6400001E-02
 C   -2.882400      0.2698000       1.019500    
 C   -1.969200     -0.2363000      -1.159100    
 C   -3.608100     -0.9212000      0.9920000    
 C   -2.694900      -1.427100      -1.186800    
 C   -3.514400      -1.769500     -0.1111000    
 H    3.778400      -2.690600     -0.7269000    
 H    3.157900     -0.7753000      -2.017800    
 H    4.881500     -0.6444000      -1.690800    
 H    2.326500      -2.420200       1.308300    
 H    1.600300      -1.857900     -0.1928000    
 H    3.641200       1.532300      -1.426600    
 H    4.460400       1.053600      6.6399999E-02
 H    2.832200     -9.0300001E-02   1.979900    
 H    1.134300     -0.2992000       1.597300    
 H    5.870600      -1.872100      0.2712000    
 H    4.982900     -0.8356000       1.395100    
 H    4.823200      -2.593600       1.498900    
 H   0.4298000       1.840300       1.690700    
 H   -2.962700      0.9131000       1.890300    
 H   -1.330500      9.3000000E-03  -2.002000    
 H   -4.241900      -1.177800       1.837100    
 H   -2.612100      -2.080900      -2.051300    
 H   -4.180200      -3.589300     -0.9384000    
 H   -4.842000      -3.222700      0.6407000    


%chk=000226987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226987

0 1
S -1.360517 1.852875 0.830311
O -1.052644 2.918760 -0.361468
O -1.856749 2.332230 2.308138
N 0.966213 0.523447 0.162682
N 0.225578 0.806969 1.298981
N -5.108037 -2.368392 -1.331998
C 4.538281 -1.720024 0.261039
C 3.622228 -1.572095 -0.985360
C 3.722000 -1.415599 1.546717
C 2.938137 -0.178647 -1.058036
C 3.035913 -0.016633 1.517066
C 2.228789 0.157276 0.238494
C 5.820788 -0.858595 0.157588
C -2.496823 0.547411 0.167422
C -3.251890 -0.213649 1.078786
C -2.581885 0.372825 -1.225833
C -4.128420 -1.188057 0.573817
C -3.459349 -0.604049 -1.725773
C -4.241987 -1.401521 -0.835198
H 4.859550 -2.781049 0.317739
H 2.835087 -2.351541 -0.949541
H 4.208185 -1.743707 -1.909217
H 4.377459 -1.479390 2.437006
H 2.935401 -2.186903 1.665027
H 2.210884 -0.135638 -1.886508
H 3.708446 0.594933 -1.258300
H 3.813982 0.772164 1.566614
H 2.400836 0.091744 2.415916
H 6.402599 -1.127864 -0.743530
H 5.596765 0.222010 0.095469
H 6.471341 -1.013887 1.038464
H 0.671169 1.390847 2.043402
H -3.165605 -0.029539 2.154426
H -1.984682 1.000700 -1.894242
H -4.731514 -1.787783 1.265255
H -3.543744 -0.756031 -2.808006
H -5.200784 -2.522054 -2.332001
H -5.675303 -2.932845 -0.706050


