%chk=000174958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174958

0 1
 S   -3.342600      0.6344000      0.6119000    
 S   -3.375700      -2.381300     -0.3400000    
 O   -2.969400       1.824000       1.663600    
 O    1.928900       1.603000      0.9818000    
 O   -3.700000       1.264600     -0.6457000    
 O   -4.240200     -0.2960000       1.269300    
 O    1.873000      -3.490900     -0.6275000    
 O   -4.354700      -1.235500     -0.9642000    
 O   -3.154400      -3.373100      -1.375900    
 O   -3.882100      -2.757300      0.9661000    
 N  -0.6484000       1.771900       1.004700    
 N  -0.7071000      -3.591300     -0.6886000    
 C  -0.6499000       2.883800      7.8699999E-02
 C   1.0800000E-02   4.100100      0.7319000    
 C   7.6200001E-02   2.477400      -1.205600    
 C   0.1210000       5.268700     -0.2445000    
 C   0.1880000       3.647600      -2.179800    
 C   0.8414000       4.862800      -1.527300    
 C  -0.6156000      0.4213000      0.5785000    
 C   0.5905000     -0.2609000      0.3784000    
 C   -1.829700     -0.2296000      0.3580000    
 C   0.5759000      -1.592500     -4.1800000E-02
 C   -1.844300      -1.558300     -6.1299998E-02
 C  -0.6448000      -2.241900     -0.2618000    
 C    1.871400      0.4363000      0.6144000    
 C    1.841000      -2.324000     -0.2576000    
 C    3.136300     -0.2951000      0.3984000    
 C    3.121600      -1.626800     -2.1800000E-02
 C    4.357000      0.3544000      0.6178000    
 C    4.327700      -2.308900     -0.2229000    
 C    5.556500     -0.3290000      0.4162000    
 C    5.541900      -1.657700     -3.4000000E-03
 H   -1.681400       3.147900     -0.1797000    
 H  -0.5720000       4.412700       1.607400    
 H    1.012300       3.858000       1.104100    
 H    1.098000       2.140000      -1.045600    
 H  -0.4565000       1.669200      -1.721500    
 H  -0.8836000       5.634200     -0.4903000    
 H   0.6546000       6.098800      0.2318000    
 H   0.7677000       3.344600      -3.059300    
 H  -0.8127000       3.920600      -2.537200    
 H   0.8430000       5.702800      -2.230900    
 H    1.889800       4.634200      -1.299400    
 H  -0.1384000       1.920900       1.872100    
 H   -1.574200      -4.106900     -0.6900000    
 H   0.1446000      -4.108300     -0.8555000    
 H    4.398200       1.389900      0.9447000    
 H    4.346300      -3.345100     -0.5497000    
 H    6.503300      0.1756000      0.5865000    
 H   -3.261700       2.728200       1.401100    
 H    6.477200      -2.187400     -0.1597000    
 H   -4.104300     -0.9065000      -1.859600    


%chk=000174958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174958

0 1
S -2.779232 0.912829 0.610864
S -3.109784 -2.180919 -0.981459
O -1.967884 1.666201 2.102905
O 2.708667 1.386506 0.898522
O -3.409766 2.107529 -0.256582
O -3.794082 -0.220032 1.207042
O 2.003555 -3.936863 -0.326515
O -4.232573 -0.799990 -1.411633
O -2.836874 -2.903641 -2.406945
O -3.676954 -3.068686 0.234236
N 0.337262 1.932560 0.113399
N -0.393807 -3.485597 -1.147300
C -0.458330 3.109984 -0.311396
C 0.382964 4.377716 -0.028543
C -0.840636 3.029917 -1.813322
C -0.398278 5.646596 -0.444759
C -1.631759 4.293140 -2.227052
C -0.832154 5.583809 -1.928923
C 0.069357 0.602688 0.039284
C 1.158745 -0.358841 0.217858
C -1.243202 0.004366 -0.143315
C 0.978991 -1.745445 -0.092495
C -1.400448 -1.323592 -0.520010
C -0.284698 -2.233130 -0.613015
C 2.472895 0.127527 0.693458
C 2.102452 -2.704266 0.046588
C 3.555625 -0.849750 0.939225
C 3.376810 -2.224862 0.626666
C 4.789317 -0.404787 1.481180
C 4.432250 -3.144546 0.855755
C 5.829488 -1.323612 1.712863
C 5.650789 -2.697489 1.399230
H -1.381188 3.191281 0.289977
H 0.643215 4.421766 1.046603
H 1.332744 4.321587 -0.599743
H 0.090400 2.947131 -2.409850
H -1.449237 2.129172 -2.014998
H -1.297263 5.747384 0.196943
H 0.226260 6.541708 -0.263234
H -1.882719 4.235799 -3.303027
H -2.591908 4.308519 -1.674115
H -1.438821 6.473707 -2.183907
H 0.069817 5.613905 -2.574672
H 1.321786 2.107958 0.442382
H -1.217880 -3.753652 -1.697351
H 0.446779 -4.083798 -1.051363
H 4.902140 0.659357 1.707198
H 4.268522 -4.195005 0.598432
H 6.779894 -0.979074 2.133781
H -2.456308 1.263635 2.881899
H 6.463448 -3.408930 1.579515
H -4.737985 -0.594173 -0.560983


