%chk=000171430.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171430

0 1
 S    5.508700     -0.3952000      -1.266000    
 O    9.127500      -1.610000     -0.6089000    
 O    8.020200      -1.246100      -2.474200    
 N   -2.393800       1.902300      0.9813000    
 N    2.825100     -7.8699999E-02   1.284000    
 N   -3.166200       5.241900      -2.474200    
 N    3.486100      0.2943000      0.2864000    
 N    5.523200     -0.3854000       1.319000    
 N    8.073600      -1.257300      -1.211100    
 C   -3.507000       1.180700       1.549100    
 C   -3.958600      6.1600000E-02  0.6146000    
 C   -5.138200     -0.7370000       1.179900    
 C   -2.655200       3.173100      0.3026000    
 C   -1.084700       1.405400       1.057100    
 C   -5.574700      -1.827300      0.2343000    
 C   -2.709900       2.980800      -1.209300    
 C  -3.2600001E-02   2.121600      0.4861000    
 C  -0.8347000      0.1948000       1.703400    
 C   -6.547500      -1.565600     -0.7306000    
 C   -5.005500      -3.097700      0.3240000    
 C    1.269400       1.627300      0.5617000    
 C   0.4675000     -0.2995000       1.779000    
 C    1.519600      0.4168000       1.208100    
 C   -6.951200      -2.574200      -1.605600    
 C   -5.409300      -4.106200     -0.5510000    
 C   -6.382200      -3.844300      -1.515800    
 C   -2.965000       4.245200      -1.915200    
 C    4.776900     -0.1401000      0.2651000    
 C    6.950100     -0.8744000     -0.4697000    
 C    6.768600     -0.8067000      0.8958000    
 H   -3.286500      0.8053000       2.555500    
 H   -4.357100       1.858800       1.701100    
 H   -3.132700     -0.6239000      0.3918000    
 H   -4.253400      0.4889000     -0.3513000    
 H   -5.983900     -6.7800000E-02   1.383500    
 H   -4.863800      -1.178000       2.146700    
 H   -1.942600       3.952600      0.6002000    
 H   -3.623900       3.573500      0.6325000    
 H   -3.508600       2.276500      -1.465800    
 H   -1.786000       2.539400      -1.596200    
 H  -0.1549000       3.071300     -2.2100000E-02
 H   -1.607700     -0.4067000       2.168900    
 H   -6.996800     -0.5794000     -0.8116000    
 H   -4.245200      -3.313200       1.070100    
 H    2.062900       2.227500      0.1233000    
 H   0.6542000      -1.243300       2.284800    
 H   -7.708200      -2.370300      -2.357200    
 H   -4.965800      -5.095200     -0.4817000    
 H   -6.696200      -4.629500      -2.197200    
 H    7.513800      -1.053600       1.640700    


%chk=000171430-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171430

0 1
S 6.425007 0.751875 -0.626434
O 9.695008 -1.456935 0.084867
O 9.387202 0.468309 -1.136080
N -2.336992 1.859137 0.818313
N 2.892233 -0.320224 0.804250
N -3.396393 5.292935 -2.557735
N 3.862984 0.380075 0.219753
N 5.564962 -1.294746 0.927724
N 8.955864 -0.499643 -0.386223
C -3.448385 1.118911 1.464066
C -4.096224 0.029656 0.571726
C -5.170310 -0.782531 1.345707
C -2.665853 3.123490 0.137951
C -1.044655 1.336519 0.782153
C -5.839179 -1.826239 0.461279
C -2.810595 2.959933 -1.413126
C 0.038481 2.068170 0.171217
C -0.739133 0.058440 1.364689
C -7.037687 -1.527927 -0.236444
C -5.250364 -3.104427 0.280016
C 1.337608 1.565118 0.160055
C 0.565010 -0.439981 1.350095
C 1.632419 0.293996 0.750553
C -7.631496 -2.479463 -1.096610
C -5.840253 -4.059123 -0.578290
C -7.033245 -3.748667 -1.271598
C -3.131848 4.240922 -2.060594
C 5.120321 -0.191503 0.294375
C 7.558250 -0.515344 -0.051073
C 6.914400 -1.477609 0.737408
H -3.083255 0.666821 2.405388
H -4.218971 1.856315 1.755753
H -3.318295 -0.657761 0.189562
H -4.566872 0.499055 -0.313776
H -5.929029 -0.084076 1.750808
H -4.688750 -1.272766 2.215424
H -1.903940 3.892587 0.356681
H -3.619921 3.498031 0.544449
H -3.608088 2.229323 -1.640944
H -1.873161 2.560669 -1.842276
H -0.141508 3.047102 -0.281757
H -1.524720 -0.544404 1.825373
H -7.513136 -0.548153 -0.099822
H -4.328417 -3.356771 0.819605
H 2.155335 2.130298 -0.297308
H 0.802603 -1.411542 1.795176
H -8.560042 -2.234237 -1.624364
H -5.374479 -5.043124 -0.703066
H -7.493565 -4.488537 -1.935605
H 7.428870 -2.328958 1.184609


