%chk=000170580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170580

0 1
 S    1.418800     -0.7759000      -2.056900    
 O  -0.2517000      -3.292500      0.5777000    
 O   6.9899999E-02 -0.7123000       2.392200    
 O    5.725000      0.6459000     -0.8347000    
 O   -2.566900      -1.171000       1.137400    
 O    3.111500      4.4500001E-02   2.881400    
 O    2.701300       2.127900       2.032100    
 O   -6.355300       3.162800     -0.3787000    
 O    7.036700       2.536300     -0.6257000    
 O   -7.319500       1.876800       1.220100    
 N    1.591500     -0.6912000      0.5911000    
 N   -1.066800      -1.333300     -0.6242000    
 N   -7.665700     -0.2210000     -0.4665000    
 C   3.1599998E-02  -1.947900      0.1419000    
 C    1.415500      -1.656500     -0.4787000    
 C   0.5069000      -1.044000       1.315000    
 C    2.612500      0.2025000      0.6412000    
 C    3.379900      0.4607000     -0.4445000    
 C    3.112400     -0.1372000      -1.823900    
 C   -2.284000     -0.9966000     -4.5000002E-02
 C    4.580400       1.376600     -0.4480000    
 C    2.805900      0.9243000       1.907500    
 C   -3.248300     -0.4055000      -1.059800    
 C  -0.2574000      -4.276900     -0.4450000    
 C   -4.603700     -1.9400001E-02 -0.4655000    
 C   -5.546900      0.5819000      -1.519400    
 C   -6.950100      0.9365000      -1.002600    
 C    6.902500       1.347900     -0.8849000    
 C   -6.911000       2.007300      7.3399998E-02
 C    8.024900      0.4491000      -1.307100    
 H    2.129900      -2.485800     -0.4146000    
 H  -0.9491000      -1.159800      -1.619600    
 H    3.822700     -0.9485000      -2.016900    
 H    3.258600      0.6266000      -2.595000    
 H    4.405300       2.197400      -1.154700    
 H    4.765700       1.817900      0.5360000    
 H   -3.391700      -1.142400      -1.859500    
 H   -2.773700      0.4790000      -1.501700    
 H  -0.9845000      -4.023700      -1.221900    
 H   0.7384000      -4.382500     -0.8835000    
 H  -0.5436000      -5.233500      3.0000001E-04
 H   -5.060700     -0.9093000     -1.6600000E-02
 H   -4.450000      0.6990000      0.3487000    
 H   -5.648900     -0.1300000      -2.349100    
 H   -5.076000       1.478700      -1.941400    
 H   -7.543700       1.338100      -1.832900    
 H    3.249500      0.4851000       3.747000    
 H   -8.628800      3.8400002E-02 -0.2560000    
 H   -7.715900     -0.9497000      -1.177400    
 H    8.144100     -0.3593000     -0.5814000    
 H    8.955000       1.023300      -1.346200    
 H    7.821700      4.6500001E-02  -2.302500    
 H   -6.328400       3.852200      0.3186000    


%chk=000170580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170580

0 1
S 1.542973 -0.461114 -1.704769
O -0.326047 -2.555400 1.350048
O 0.416270 0.296131 2.783837
O 6.214935 0.343991 -0.863788
O -2.904097 -1.070557 1.380281
O 3.300501 -0.132361 3.380098
O 4.303200 1.794098 2.550766
O -7.756776 1.106693 0.532087
O 6.010698 1.561052 -2.850226
O -8.174665 -0.958514 -0.440571
N 1.955002 -0.490256 1.056745
N -1.062725 -0.658168 -0.018740
N -6.868480 -0.253571 -2.774361
C -0.002502 -1.309818 0.742750
C 1.399336 -1.328132 -0.023203
C 0.733026 -0.370755 1.794419
C 3.162850 0.231885 1.032380
C 3.850919 0.440421 -0.145764
C 3.397217 -0.095122 -1.493100
C -2.390850 -0.464147 0.401891
C 5.157994 1.197247 -0.212457
C 3.645452 0.743752 2.356954
C -3.170675 0.550090 -0.446511
C -1.048750 -3.518810 0.494810
C -4.632271 0.109759 -0.681643
C -5.490725 1.240596 -1.277956
C -6.913151 0.756892 -1.713591
C 6.589208 0.678789 -2.175403
C -7.675056 0.186506 -0.515062
C 7.770440 -0.156328 -2.612839
H 1.856521 -2.326667 -0.090581
H -0.742519 -0.096384 -0.815965
H 3.934534 -1.029194 -1.735590
H 3.633846 0.638231 -2.283717
H 5.042803 2.113094 -0.822991
H 5.559522 1.454368 0.774983
H -2.663404 0.742166 -1.412619
H -3.161372 1.507447 0.115166
H -2.094748 -3.195800 0.363473
H -0.553347 -3.646117 -0.488702
H -1.016961 -4.464017 1.056621
H -4.660538 -0.756392 -1.369497
H -5.047532 -0.224967 0.287618
H -5.004561 1.648512 -2.186001
H -5.599081 2.068975 -0.551346
H -7.477862 1.663754 -2.025822
H 3.541337 0.264812 4.259823
H -7.344654 -1.130407 -2.546419
H -7.028350 0.086348 -3.721769
H 8.692330 0.244723 -2.153839
H 7.872542 -0.114008 -3.706914
H 7.660228 -1.198834 -2.273510
H -8.236188 0.693006 1.300118


