%chk=000150045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150045

0 1
 S   -3.888800     -0.3990000      0.5253000    
 O  -0.3328000      0.1901000      -2.190000    
 O   -2.632500      8.0499999E-02  -2.297800    
 O   -1.627600       2.182600     -0.5214000    
 O   -1.536600       2.108700       1.670700    
 N  -0.7065000     -0.4916000      0.4463000    
 N    3.448300      3.5799999E-02  0.2946000    
 N  -0.9810000       2.148400      0.5498000    
 C   0.6982000     -0.2805000      0.3972000    
 C   -1.417100      -1.160900     -0.5908000    
 C    1.249500       1.004600      0.4184000    
 C    1.523400      -1.407400      0.3247000    
 C    2.649100       1.117800      0.3645000    
 C    2.912100      -1.199800      0.2746000    
 C   -2.749800      -1.696100     -6.2600002E-02
 C   0.4442000       2.154600      0.4908000    
 C   0.9965000      -2.710400      0.3018000    
 C    3.203900       2.394600      0.3851000    
 C   -1.567200     -0.2282000      -1.779100    
 C    3.739000      -2.317800      0.2022000    
 C    1.023700       3.419600      0.5101000    
 C    2.406600       3.539500      0.4571000    
 C    1.844700      -3.811400      0.2292000    
 C    3.218700      -3.614200      0.1793000    
 C   -5.227200      -1.472500       1.089600    
 C   -6.368400     -0.6488000       1.655400    
 C  -0.3224000       1.061500      -3.325200    
 H  -0.9045000      -2.020400      -1.030400    
 H   -1.220200     -5.1700000E-02   1.200500    
 H   -3.261400      -2.248400     -0.8590000    
 H   -2.564300      -2.390100      0.7649000    
 H  -4.7899999E-02  -2.946800      0.4662000    
 H    4.285000       2.514900      0.3445000    
 H    4.819200      -2.189500      0.1636000    
 H   0.4173000       4.320400      0.5656000    
 H    2.869400       4.522000      0.4714000    
 H    1.437800      -4.817900      0.2407000    
 H    3.889800      -4.466500      0.1294000    
 H   -5.590200      -2.072100      0.2490000    
 H   -4.848200      -2.150300       1.861100    
 H   -6.046400     -5.2499998E-02   2.516100    
 H   -6.790000      2.5800001E-02  0.9023000    
 H   -7.173100      -1.309900       1.994100    
 H   0.7003000       1.421600      -3.465200    
 H  -0.9761000       1.924000      -3.165700    
 H  -0.6265000      0.5092000      -4.219000    


%chk=000150045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000150045

0 1
S -4.118475 -1.125336 -0.665953
O -1.297678 0.875289 -2.226578
O -1.767144 -0.884294 -3.680173
O -1.611330 3.384817 -0.223706
O -1.921824 1.595565 1.151206
N -0.958303 -0.628589 -0.089536
N 3.209316 -0.203659 0.844636
N -1.155199 2.381493 0.447822
C 0.357933 -0.439485 0.330659
C -1.323731 -1.380221 -1.298592
C 0.943910 0.863407 0.573878
C 1.195182 -1.604560 0.517403
C 2.399359 0.898063 0.790827
C 2.618368 -1.434611 0.740453
C -2.629145 -2.198963 -1.130947
C 0.307090 2.165706 0.492018
C 0.660869 -2.937672 0.543071
C 3.091833 2.155953 0.900794
C -1.484216 -0.460823 -2.537800
C 3.458185 -2.595279 0.869235
C 1.021476 3.369920 0.558161
C 2.427331 3.369210 0.771370
C 1.492943 -4.045093 0.703461
C 2.911048 -3.874836 0.839919
C -4.122459 -1.315262 1.234053
C -4.901685 -0.144561 1.848823
C -1.529000 1.851250 -3.324224
H -0.511914 -2.085569 -1.555162
H -1.632260 0.108534 0.154301
H -2.884208 -2.685148 -2.085808
H -2.506966 -2.968216 -0.350477
H -0.423337 -3.076000 0.499992
H 4.169807 2.094956 1.075157
H 4.529572 -2.421823 1.007152
H 0.467787 4.308999 0.477463
H 2.965209 4.318674 0.847356
H 1.061536 -5.050864 0.747232
H 3.555294 -4.753926 0.948908
H -4.585343 -2.288900 1.469564
H -3.073092 -1.314489 1.571622
H -4.403735 0.813698 1.623548
H -5.938611 -0.103507 1.469201
H -4.948789 -0.261390 2.947831
H -1.475916 2.831342 -2.830857
H -2.521076 1.679278 -3.772591
H -0.748612 1.738426 -4.094808


