%chk=000178868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178868

0 1
 S    5.961900      -2.224700     -0.3628000    
 O   -2.291100       2.533500     -0.3249000    
 O   -2.982400      -3.191300     -2.6300000E-02
 O   -3.777400       1.202700      0.8044000    
 O   -4.243000      -1.284500      0.1498000    
 N   0.1920000     -0.7969000     -1.5300000E-02
 N  -0.7332000      -1.771600     -3.5999998E-02
 C  -0.3296000      0.4619000      8.8399999E-02
 C   -1.694800      0.2931000      0.1382000    
 C   0.4631000       1.666400      0.1306000    
 C   -1.883700      -1.099600      5.7900000E-02
 C    1.544500      -1.132600     -9.6699998E-02
 C   -2.672700       1.335900      0.2479000    
 C   0.7928000       2.327000      -1.052900    
 C   0.8995000       2.170800       1.355700    
 C    2.154300      -1.218900      -1.341100    
 C    2.260900      -1.374200       1.067600    
 C   -3.125200      -1.821500      6.6699997E-02
 C    3.506000      -1.553200      -1.422600    
 C    3.612700      -1.708300      0.9861000    
 C    4.235400      -1.797900     -0.2589000    
 C    1.558700       3.492000      -1.011200    
 C    1.665200       3.336000       1.397300    
 C    1.994900       3.996500      0.2140000    
 C   -3.222200       3.619100     -0.2514000    
 C   -4.182100      -3.973300     -2.2900000E-02
 C   -2.621100       4.831200     -0.9307000    
 C   -3.816300      -5.438200     -0.1317000    
 C    6.732700     -0.8792000      0.5808000    
 H   0.4601000       1.947200      -2.016000    
 H   0.6509000       1.668000       2.287200    
 H    1.596600      -1.030100      -2.254800    
 H    1.786700      -1.308900       2.043500    
 H    3.974100      -1.617700      -2.401900    
 H    4.159000      -1.901300       1.905900    
 H    1.814900       4.006800      -1.932600    
 H    2.004800       3.728900       2.351200    
 H    2.590900       4.903700      0.2464000    
 H   -3.431100       3.847600      0.7993000    
 H   -4.152400       3.334200     -0.7547000    
 H   -4.807800      -3.682400     -0.8738000    
 H   -4.729200      -3.795300      0.9094000    
 H   -3.308400       5.680900     -0.8952000    
 H   -1.680600       5.116100     -0.4474000    
 H   -2.385500       4.609300      -1.976700    
 H   -3.174200      -5.737900      0.7032000    
 H   -3.251400      -5.627000      -1.050600    
 H   -4.711700      -6.066000     -0.1320000    
 H    6.440100      9.0400003E-02  0.1688000    
 H    6.444000     -0.9294000       1.633800    
 H    7.819900     -0.9732000      0.5149000    


%chk=000178868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178868

0 1
S 6.440296 -1.656434 -0.373597
O -2.725711 2.453482 -0.823202
O -2.716615 -3.010224 0.399058
O -3.626821 1.258315 0.963301
O -3.924916 -1.367125 -0.738658
N 0.477070 -0.418164 -0.061430
N -0.398591 -1.502185 -0.066381
C -0.192352 0.817454 -0.058501
C -1.567690 0.498653 -0.073931
C 0.498456 2.117794 0.105322
C -1.639015 -0.934939 -0.062662
C 1.886541 -0.701310 -0.117739
C -2.731115 1.403314 0.099324
C 0.253621 3.190630 -0.791751
C 1.412776 2.308375 1.178016
C 2.770262 0.109314 -0.870772
C 2.374735 -1.845699 0.551474
C -2.870613 -1.754757 -0.178343
C 4.138874 -0.211006 -0.921738
C 3.745823 -2.167292 0.493144
C 4.641277 -1.348828 -0.236827
C 0.918101 4.425225 -0.623288
C 2.071273 3.544076 1.344869
C 1.829215 4.606947 0.442504
C -3.875072 3.406624 -0.711196
C -3.898533 -3.919851 0.277195
C -3.672202 4.470504 -1.785022
C -3.529545 -5.211216 0.998885
C 6.654165 -3.261559 0.573886
H -0.458717 3.050294 -1.609164
H 1.598034 1.491816 1.884365
H 2.397472 0.976155 -1.422488
H 1.674582 -2.482137 1.099246
H 4.815876 0.419518 -1.508241
H 4.097975 -3.057452 1.022134
H 0.725678 5.243447 -1.326105
H 2.769046 3.678417 2.178406
H 2.343734 5.565696 0.571183
H -3.879890 3.827583 0.310342
H -4.807557 2.831362 -0.851877
H -4.105783 -4.076346 -0.797234
H -4.772320 -3.413919 0.726123
H -4.506904 5.194373 -1.754864
H -2.730075 5.022321 -1.621705
H -3.644654 4.015475 -2.789946
H -3.313089 -5.017808 2.063308
H -2.639670 -5.676640 0.541942
H -4.369502 -5.927234 0.937874
H 6.383240 -3.130891 1.633139
H 6.062775 -4.067794 0.112634
H 7.725554 -3.502250 0.496893


