%chk=000057104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057104

0 1
 S   -4.132700      -3.741900      0.2346000    
 O   -4.796800       2.878000      -1.386400    
 O   -1.634900      -3.003800      2.3399999E-02
 O    1.070300     -0.6532000      0.1893000    
 N   -3.822000      0.8447000      0.3506000    
 N   -2.893800      -1.298800      0.6679000    
 N   -1.605600     -0.8281000      0.5812000    
 N    3.075300      -1.603800     -0.4146000    
 N    5.099600     -0.2965000     -0.4291000    
 C   -3.909900      0.6379000      -1.101500    
 C   -4.850500       1.799600      0.7865000    
 C   -3.955600     -0.4236000       1.064400    
 C   -3.779600       1.975900      -1.823600    
 C   -4.699200       3.110100      1.9400001E-02
 C   -2.910500      -2.635200      0.3247000    
 C  -0.9291000      -1.864900      0.2046000    
 C   0.5258000      -1.937300     -5.1500000E-02
 C    3.028300      0.7317000      0.2065000    
 C    2.420600     -0.5006000     -9.4999997E-03
 C    4.412600      0.7860000     -2.3800001E-02
 C    2.320300       1.869800      0.6302000    
 C    5.058400       2.002700      0.1814000    
 C    4.393700      -1.432400     -0.6026000    
 C    2.990900       3.072900      0.8274000    
 C    4.361500       3.139000      0.6026000    
 C    5.162800      -2.628300      -1.051900    
 H   -4.873900      0.1799000      -1.360200    
 H   -3.117100     -1.5600000E-02  -1.479600    
 H   -4.751400       2.001500       1.859000    
 H   -5.852200       1.386700      0.6090000    
 H   -3.849100     -0.2683000       2.144400    
 H   -4.927000     -0.8979000      0.8862000    
 H   -3.905500       1.831700      -2.901600    
 H   -2.793700       2.428800      -1.662500    
 H   -3.744900       3.602200      0.2437000    
 H   -5.501400       3.800400      0.2990000    
 H   0.6731000      -2.235400      -1.095800    
 H   0.9575000      -2.678400      0.6306000    
 H    1.248700       1.833300      0.8097000    
 H    6.130700       2.081100      1.2600000E-02
 H    2.447700       3.954100       1.154500    
 H    4.892600       4.074200      0.7541000    
 H    5.769900      -2.380000      -1.927900    
 H    5.824200      -2.967700     -0.2491000    
 H    4.494800      -3.452200      -1.321800    


%chk=000057104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057104

0 1
S -3.884942 -0.849316 -3.446737
O -4.214526 2.593576 1.528009
O -1.251226 -1.489809 -2.859215
O 1.664255 -0.757726 -1.860356
N -3.816572 0.001280 0.370665
N -2.575563 -1.540811 -1.073880
N -1.282663 -1.854530 -0.603632
N 2.535482 -1.206204 0.294259
N 3.946641 0.405618 1.443248
C -5.065911 0.745530 0.103442
C -3.162006 0.348433 1.648817
C -3.698560 -1.352744 -0.101767
C -4.791116 2.256247 0.213344
C -2.945341 1.871305 1.716425
C -2.618245 -1.287390 -2.437608
C -0.524707 -1.817269 -1.691291
C 0.938285 -2.063094 -1.789238
C 3.032882 0.917197 -0.810500
C 2.410334 -0.382458 -0.746775
C 3.815044 1.268384 0.351859
C 2.915115 1.821928 -1.905631
C 4.468814 2.536846 0.381001
C 3.313072 -0.778225 1.373060
C 3.567149 3.059507 -1.848987
C 4.345045 3.414244 -0.702915
C 3.427417 -1.740448 2.525997
H -5.868489 0.472274 0.829005
H -5.413510 0.508093 -0.918521
H -2.184448 -0.164453 1.709713
H -3.780513 0.029699 2.521941
H -3.487338 -2.078193 0.707448
H -4.610084 -1.658564 -0.643838
H -5.724888 2.837676 0.142972
H -4.091840 2.564931 -0.592763
H -2.220109 2.176796 0.931680
H -2.574160 2.178306 2.708001
H 1.183693 -2.582664 -2.728043
H 1.290208 -2.621472 -0.906311
H 2.314889 1.533843 -2.773577
H 5.058106 2.789298 1.267358
H 3.482536 3.762404 -2.684462
H 4.848838 4.386715 -0.675430
H 4.042553 -1.298698 3.323234
H 2.426036 -1.987447 2.922440
H 3.883261 -2.690315 2.192060


