%chk=000126448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126448

0 1
 S   -5.511400     -4.2399999E-02 -0.2035000    
 O   -6.018100      -1.376800     -0.5007000    
 O   -6.000200       1.100400     -0.9658000    
 N    6.505800      4.3000001E-03  1.9700000E-02
 N   -5.693600      0.2584000       1.483400    
 N   0.4040000     -0.1199000     -0.6690000    
 N   0.9244000      8.1000000E-02  0.4535000    
 N   -7.050400      0.3523000       1.724600    
 C   -3.771100     -6.4999998E-02 -0.3410000    
 C    5.099600      2.3900000E-02  0.1287000    
 C   -3.076700       1.115000     -0.6081000    
 C   -3.074800      -1.263400     -0.1832000    
 C  -0.9969000     -0.1015000     -0.5592000    
 C    4.404100       1.222600     -2.9899999E-02
 C    4.404400      -1.155700      0.3954000    
 C    2.318500      6.2500000E-02  0.3448000    
 C   -1.686300       1.096700     -0.7176000    
 C   -1.684400      -1.281600     -0.2926000    
 C    3.013600       1.241900      7.8199998E-02
 C    3.013900      -1.136400      0.5034000    
 C    7.286600       1.169300      0.3856000    
 C    7.189100      -1.185800     -0.4466000    
 H   -3.597300       2.061000     -0.7276000    
 H   -3.594500      -2.192800      3.1800002E-02
 H    4.913900       2.156400     -0.2499000    
 H    4.915600      -2.103700      0.5367000    
 H   -1.152900       2.020600     -0.9249000    
 H   -1.149400      -2.219200     -0.1673000    
 H    2.480200       2.180500     -4.8799999E-02
 H    2.480900      -2.059900      0.7147000    
 H    7.269600       1.915300     -0.4159000    
 H    8.334400      0.9030000      0.5646000    
 H    6.915800       1.626500       1.309900    
 H    8.202400     -0.9500000     -0.7908000    
 H    6.667400      -1.641900      -1.295600    
 H    7.278200      -1.922800      0.3583000    
 H   -5.268700     -0.4286000       2.120500    
 H   -7.146800      0.6518000       2.694100    
 H   -7.422200     -0.5965000       1.686500    


%chk=000126448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126448

0 1
S -5.608203 -0.494838 0.937092
O -5.802759 -1.249804 2.390549
O -6.309830 -1.115940 -0.441343
N 6.760756 0.097265 -0.274632
N -6.863595 1.485574 0.852097
N 0.355955 -0.243568 -0.301249
N 1.186969 -0.213338 0.720937
N -7.570324 1.259202 -0.279706
C -3.762913 -0.433321 0.580555
C 5.388617 0.017476 -0.056426
C -3.333007 -0.399772 -0.757837
C -2.879005 -0.418774 1.678899
C -1.022523 -0.312565 0.078077
C 4.848786 -0.024241 1.273248
C 4.463702 -0.024702 -1.159518
C 2.557067 -0.140189 0.382999
C -1.946399 -0.342202 -1.002530
C -1.497805 -0.359964 1.422560
C 3.466336 -0.101528 1.477616
C 3.086244 -0.101070 -0.943822
C 7.688172 0.144835 0.866407
C 7.295684 0.142566 -1.644818
H -4.061477 -0.455447 -1.572529
H -3.273090 -0.480545 2.698650
H 5.512007 0.003976 2.141291
H 4.837247 0.003020 -2.186884
H -1.550394 -0.323401 -2.022823
H -0.767261 -0.351171 2.236448
H 3.051015 -0.133126 2.490565
H 2.385615 -0.132241 -1.784133
H 7.499345 1.027819 1.508710
H 8.722500 0.209230 0.495502
H 7.606750 -0.762933 1.496552
H 8.393882 0.206711 -1.605970
H 6.921767 1.024803 -2.201064
H 7.027592 -0.766196 -2.219089
H -7.405258 1.107529 1.666465
H -7.144929 1.646647 -1.124830
H -8.130536 0.403722 -0.419618


