%chk=000114474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114474

0 1
 S    7.426200     -2.9100001E-02  5.4000001E-03
 O    4.482600     -0.8395000      -1.039700    
 O    7.199500      -1.383200     -0.4955000    
 O    8.622500      0.6305000     -0.5138000    
 O    7.193900      0.1480000       1.437300    
 N    2.368000      0.9583000      0.2841000    
 C    1.847100     -0.3609000     -0.1435000    
 C    3.606900       1.349800     -0.5351000    
 C   0.3927000     -0.5274000      0.2794000    
 C    1.308200       2.053600      9.4599999E-02
 C    2.767300      0.9350000       1.767000    
 C    4.746100      0.3579000     -0.3088000    
 C  -0.2500000      -1.877500     -5.9700001E-02
 C   -1.692800      -2.067300      0.4183000    
 C   -2.651900     -0.9921000     -9.8999999E-02
 C    6.109400      0.8946000     -0.7301000    
 C   -4.091300      -1.282400      0.3344000    
 C   -5.101100     -0.2517000     -0.1788000    
 C   -6.536200     -0.5282000      0.2748000    
 C   -7.512000      0.4870000     -0.3249000    
 C   -8.952300      0.1899000      9.6000001E-02
 C   -9.923000       1.222900     -0.4755000    
 C   -11.35960      0.9117000     -8.6999997E-02
 H    1.904600     -0.4212000      -1.237100    
 H    2.457900      -1.157900      0.2933000    
 H    3.299900       1.384500      -1.587100    
 H    3.896000       2.356700     -0.2121000    
 H  -0.2250000      0.2192000     -0.2274000    
 H   0.2883000     -0.3715000       1.359500    
 H    1.789400       3.020000      0.2794000    
 H   0.5003000       1.934300      0.8218000    
 H   0.9494000       2.017300     -0.9386000    
 H    1.855600      0.9920000       2.370000    
 H    3.395100       1.805500       1.979500    
 H    3.276500     -6.9999998E-04   2.009400    
 H    4.812900      7.0400000E-02  0.7391000    
 H   0.3621000      -2.678100      0.3739000    
 H  -0.2165000      -2.019300      -1.147500    
 H   -2.038800      -3.056600      9.4999999E-02
 H   -1.708500      -2.069100       1.515200    
 H   -2.599500     -0.9458000      -1.193100    
 H   -2.364700     -7.7999998E-03  0.2865000    
 H    6.242500       1.931800     -0.4039000    
 H    6.241200      0.8410000      -1.816100    
 H   -4.384600      -2.276600     -2.4900001E-02
 H   -4.138500      -1.315200       1.430000    
 H   -4.801500      0.7469000      0.1627000    
 H   -5.063700     -0.2354000      -1.275200    
 H   -6.588800     -0.4932000       1.369600    
 H   -6.826400      -1.540600     -3.1300001E-02
 H    5.159200      -1.493700     -0.7981000    
 H   -7.233700       1.497200     -7.9999998E-04
 H   -7.439600      0.4667000      -1.419100    
 H   -9.023300      0.1869000       1.190600    
 H   -9.235100     -0.8123000     -0.2487000    
 H   -9.844000       1.243700      -1.568600    
 H   -9.659400       2.222800     -0.1119000    
 H   -11.66500     -6.8899997E-02 -0.4658000    
 H   -12.03660       1.663200     -0.5051000    
 H   -11.48070      0.9130000       1.001100    


%chk=000114474-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114474

0 1
S 7.416232 -0.793336 0.912341
O 4.292565 -0.937709 0.444490
O 6.413167 -2.161962 1.025250
O 8.846685 -1.068073 0.193066
O 7.388984 0.135203 2.265571
N 2.545965 1.319132 0.009546
C 1.822039 0.086925 -0.616921
C 4.027307 1.298945 -0.486057
C 0.403405 -0.185384 -0.098603
C 1.902895 2.609668 -0.470662
C 2.496752 1.256260 1.532457
C 4.938799 0.362546 0.324311
C -0.216706 -1.359951 -0.902215
C -1.612020 -1.788799 -0.387825
C -2.717392 -0.721013 -0.561243
C 6.315951 0.256039 -0.346600
C -4.115096 -1.224264 -0.134577
C -5.226561 -0.166324 -0.317634
C -6.623938 -0.664214 0.115378
C -7.736442 0.390489 -0.081015
C -9.134019 -0.104483 0.354680
C -10.247229 0.948870 0.151764
C -11.639535 0.446549 0.591365
H 1.808670 0.284777 -1.705715
H 2.511123 -0.752433 -0.404457
H 3.980499 0.989248 -1.544665
H 4.401359 2.336627 -0.421308
H -0.252133 0.702021 -0.192046
H 0.429615 -0.473556 0.969038
H 2.386052 3.462720 0.031196
H 0.829574 2.598551 -0.230473
H 2.039639 2.693330 -1.560189
H 1.455805 1.392942 1.859997
H 3.126410 2.061255 1.942549
H 2.884911 0.272673 1.838657
H 5.121720 0.799248 1.334333
H 0.472141 -2.226334 -0.851799
H -0.292889 -1.076421 -1.972554
H -1.917298 -2.705427 -0.931082
H -1.538098 -2.074698 0.681776
H -2.752562 -0.402906 -1.624822
H -2.471994 0.185606 0.030039
H 6.856184 1.210977 -0.447351
H 6.313951 -0.338771 -1.273467
H -4.371917 -2.130831 -0.721037
H -4.081793 -1.542158 0.928473
H -4.967212 0.743974 0.263367
H -5.263331 0.144983 -1.382822
H -6.590925 -0.967338 1.182824
H -6.881478 -1.578738 -0.458713
H 5.086740 -1.618910 0.736781
H -7.478325 1.306895 0.490534
H -7.771484 0.690681 -1.149472
H -9.102700 -0.400479 1.424312
H -9.392811 -1.022551 -0.213440
H -10.279584 1.242640 -0.917457
H -9.987618 1.866754 0.718165
H -11.934279 -0.453678 0.019601
H -12.417364 1.216277 0.433960
H -11.643204 0.177034 1.664500


