%chk=000170981.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000170981

0 1
 S    2.454300      0.5312000      0.2345000    
 S   -2.481600      0.3706000     -0.2325000    
 O   0.9858000     -0.6635000      -1.564000    
 O  -0.9396000     -0.7169000       1.572500    
 N    1.521900      -2.026300      0.2441000    
 N   -1.377400      -2.097700     -0.2471000    
 C   0.8374000      -3.193800     -0.2420000    
 C  -0.6076000      -3.242300      0.2254000    
 C    2.198800      -2.177300       1.543100    
 C   -2.035100      -2.286100      -1.541300    
 C    2.920500       3.147800     -0.7369000    
 C   -3.141900       2.944700      0.7393000    
 C    2.197600       1.817100      -1.007600    
 C   -2.326100       1.669600       1.012700    
 C    1.543500     -0.8114000     -0.4788000    
 C   -1.480100     -0.9038000      0.4845000    
 C    3.628400      -2.647900       1.372400    
 C   -3.428600      -2.857100      -1.377600    
 C    4.443800       3.017800     -0.8030000    
 C    2.492800       3.795900      0.5815000    
 C   -4.652100       2.704800      0.7962000    
 C   -2.754600       3.624500     -0.5756000    
 H    1.372400      -4.094300      7.9300001E-02
 H   0.8669000      -3.180900      -1.337800    
 H  -0.6398000      -3.241400       1.321200    
 H   -1.088900      -4.168100     -0.1084000    
 H    1.641300      -2.908900       2.140300    
 H    2.168000      -1.248100       2.117500    
 H   -1.428800      -2.974800      -2.142200    
 H   -2.067300      -1.357400      -2.116500    
 H    2.624000       3.832800      -1.542900    
 H   -2.900500       3.648000       1.548000    
 H    1.120500       2.009100      -1.078500    
 H    2.522200       1.432500      -1.981300    
 H   -1.266100       1.939000       1.090200    
 H   -2.627600       1.260700       1.984000    
 H    4.109900      -2.758900       2.349000    
 H    4.221000      -1.944000      0.7803000    
 H    3.667600      -3.617500      0.8653000    
 H   -3.898100      -2.996500      -2.356500    
 H   -4.071900      -2.200500     -0.7841000    
 H   -3.401500      -3.830100     -0.8762000    
 H    4.838200       2.404500      1.3400000E-02
 H    4.915900       4.003900     -0.7338000    
 H    4.754900       2.566300      -1.750900    
 H    2.840500       3.230200       1.451700    
 H    2.907300       4.806900      0.6612000    
 H    1.402300       3.879300      0.6389000    
 H   -4.996300       2.065900     -2.3399999E-02
 H   -5.194000       3.654200      0.7256000    
 H   -4.935200       2.230200       1.741600    
 H   -3.055200       3.036600      -1.448600    
 H   -3.240600       4.603100     -0.6565000    
 H   -1.672600       3.786800     -0.6263000    


%chk=000170981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170981

0 1
S 3.496953 -0.015268 0.005145
S -1.916213 1.408302 -0.199592
O 1.980785 -1.355800 -1.879045
O -1.224404 -0.368480 1.806102
N 1.574033 -1.968437 0.340730
N -1.239950 -1.265064 -0.353617
C 0.603049 -2.993692 -0.091890
C -0.879194 -2.600039 0.167050
C 1.830973 -1.819165 1.793917
C -1.434268 -1.113250 -1.816522
C 3.419998 2.183450 -1.876615
C -3.421961 2.799509 1.835440
C 3.988446 0.764523 -1.655018
C -1.987417 2.427988 1.400463
C 2.207528 -1.231114 -0.640888
C -1.398159 -0.242279 0.559570
C 2.891143 -2.806668 2.324377
C -2.873347 -1.435282 -2.269427
C 3.932814 3.191702 -0.822177
C 1.877551 2.185354 -1.960654
C -4.269631 1.551433 2.171015
C -4.131962 3.706288 0.803144
H 0.805106 -3.939652 0.448358
H 0.774992 -3.173220 -1.165754
H -1.096420 -2.597969 1.247640
H -1.524955 -3.363577 -0.309674
H 0.867193 -1.948568 2.317143
H 2.141462 -0.778381 1.990389
H -0.701945 -1.770331 -2.317457
H -1.159087 -0.083793 -2.104673
H 3.816866 2.495287 -2.868954
H -3.292087 3.385174 2.772852
H 3.614573 0.055156 -2.415091
H 5.091931 0.763879 -1.648450
H -1.376946 3.324232 1.198037
H -1.489365 1.792327 2.154657
H 3.021433 -2.670772 3.413631
H 3.865659 -2.635294 1.835560
H 2.592311 -3.856457 2.148428
H -2.955117 -1.336183 -3.367285
H -3.593629 -0.739716 -1.805084
H -3.162035 -2.467998 -2.000103
H 3.562034 2.919171 0.183689
H 3.576839 4.212938 -1.051540
H 5.038614 3.213852 -0.785637
H 1.430041 1.895705 -0.992289
H 1.501798 3.192406 -2.219571
H 1.518067 1.470975 -2.723310
H -4.454694 0.953368 1.259570
H -5.248592 1.847658 2.590869
H -3.754875 0.902538 2.902195
H -4.271438 3.167241 -0.152926
H -5.129240 4.012098 1.169557
H -3.546660 4.622389 0.597115


