%chk=000042108.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042108

0 1
 S   -3.237400      -1.585600      0.1322000    
 O    1.914600      0.7835000      0.9918000    
 O   0.6697000      -1.787800      0.8093000    
 O  -0.5436000      -1.060200      -1.018900    
 O   -4.335600      -1.715300       1.147300    
 N   -1.712800      -1.831700      0.8399000    
 C    2.731400       1.936700      0.6373000    
 C    3.989100       1.443500     -0.1160000    
 C    3.566900      6.4199999E-02 -0.4481000    
 C    2.400900     -0.2463000      0.2306000    
 C    1.875800       2.861700     -0.2375000    
 C    3.109400       2.651000       1.935900    
 C    4.189200     -0.8721000      -1.254100    
 C    1.810100      -1.491800      0.1369000    
 C    3.605400      -2.136000      -1.371300    
 C    2.423100      -2.444200     -0.6791000    
 C  -0.5426000      -1.517400      0.1247000    
 C   -3.010100      0.1945000     -9.8999999E-02
 C   -3.057700      0.7637000      -1.365800    
 C   -1.622400      -2.370400       2.192700    
 C   -2.786200      0.9808000       1.025200    
 C   -2.878800       2.139400      -1.510900    
 C   -3.297100     -5.2099999E-02  -2.595200    
 C   -2.607500       2.356500      0.8799000    
 C   -2.653800       2.935800     -0.3879000    
 H    4.873000       1.413100      0.5304000    
 H    4.211300       2.042200      -1.004500    
 H    2.421500       3.769100     -0.5157000    
 H    1.557000       2.354000      -1.154900    
 H   0.9589000       3.153400      0.2872000    
 H    3.728200       3.533300       1.744000    
 H    2.213500       2.965000       2.483400    
 H    3.658500       1.978300       2.604600    
 H    5.108800     -0.6386000      -1.779700    
 H    4.072300      -2.890100      -1.999200    
 H    1.989300      -3.435600     -0.7826000    
 H  -0.6109000      -2.682700       2.459200    
 H   -2.279000      -3.242200       2.275800    
 H   -1.948500      -1.601600       2.899000    
 H   -2.756000      0.5561000       2.024400    
 H   -2.911200       2.608800      -2.490600    
 H   -2.517300     -0.8076000      -2.728400    
 H   -4.274600     -0.5434000      -2.544500    
 H   -3.297900      0.5672000      -3.499300    
 H   -2.433800       2.977000       1.754200    
 H   -2.514000       4.006900     -0.5007000    


%chk=000042108-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042108

0 1
S -3.107282 -1.386586 -0.270975
O 1.798567 0.614251 0.413744
O 0.802056 -2.151387 0.678408
O -0.252661 -1.186705 -1.218751
O -4.205600 -2.040523 0.771420
N -1.462793 -1.812052 0.682785
C 2.569070 1.831886 -0.124497
C 4.021558 1.295314 -0.371686
C 3.841457 -0.215948 -0.412933
C 2.542948 -0.511960 0.060323
C 1.865759 2.227878 -1.434539
C 2.470290 2.910061 0.957371
C 4.718195 -1.254040 -0.771674
C 2.091471 -1.841409 0.155295
C 4.274335 -2.597688 -0.657747
C 2.966910 -2.887581 -0.200839
C -0.323637 -1.660690 -0.055189
C -3.215081 0.480019 0.121173
C -2.812376 1.439877 -0.842044
C -1.604991 -2.352711 2.025785
C -3.769996 0.810374 1.370229
C -2.960793 2.800632 -0.457067
C -2.283384 1.075287 -2.216457
C -3.901140 2.170859 1.719914
C -3.486458 3.164590 0.802606
H 4.697339 1.590912 0.454278
H 4.438755 1.702688 -1.309770
H 2.340627 3.125803 -1.872245
H 1.919285 1.404536 -2.168347
H 0.801296 2.446781 -1.241951
H 3.004759 3.823027 0.636466
H 1.414766 3.172023 1.146237
H 2.915264 2.556158 1.903186
H 5.729082 -1.034505 -1.132223
H 4.942042 -3.420342 -0.932882
H 2.609893 -3.919245 -0.122317
H -1.105516 -3.333146 2.109748
H -2.693399 -2.494890 2.204173
H -1.193970 -1.661797 2.782922
H -4.116890 0.006748 2.031000
H -2.665431 3.579544 -1.169897
H -1.431769 0.374996 -2.146843
H -3.065792 0.587781 -2.829342
H -1.955768 1.979455 -2.756698
H -4.326622 2.450235 2.689298
H -3.585274 4.224486 1.062549


