%chk=000040162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040162

0 1
 S    1.734500     -7.9400003E-02 -0.1775000    
 O   0.2469000      -1.877400      0.8727000    
 O    1.678500     -1.7999999E-02  -1.623800    
 O    1.937600       1.090500      0.6524000    
 N  -0.9290000     -7.0000002E-03  8.1799999E-02
 C   -2.223200     -0.5329000      0.4974000    
 C  -0.9728000       1.333000     -0.5028000    
 C   0.2046000     -0.7800000      0.3317000    
 C   -2.887700      -1.366600     -0.5916000    
 C  -0.8888000       2.429700      0.5521000    
 C    2.959300      -1.279900      0.2697000    
 C   -4.249900      -1.901900     -0.1737000    
 C  -0.9557000       3.827700     -4.6000000E-02
 C    4.345600     -0.8377000     -0.1425000    
 H   -2.873700      0.2955000      0.8005000    
 H   -2.079800      -1.158600       1.386800    
 H   -1.903700       1.429500      -1.075200    
 H  -0.1677000       1.464700      -1.226700    
 H   -3.006600     -0.7648000      -1.500400    
 H   -2.239400      -2.209200     -0.8610000    
 H   -1.723400       2.320500       1.255600    
 H   1.4200000E-02   2.345100       1.159100    
 H    2.911800      -1.419000       1.353800    
 H    2.702500      -2.220300     -0.2269000    
 H   -4.936100      -1.082100      6.1600000E-02
 H   -4.689800      -2.493400     -0.9825000    
 H   -4.163400      -2.542800      0.7095000    
 H   -1.885600       3.969800     -0.6057000    
 H  -0.9164000       4.582100      0.7459000    
 H  -0.1146000       4.001400     -0.7245000    
 H    5.086400      -1.590500      0.1442000    
 H    4.409600     -0.6928000      -1.225700    
 H    4.618000      0.1081000      0.3370000    


%chk=000040162-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040162

0 1
S 1.885648 0.116879 -0.178433
O 0.202469 -1.928402 0.926116
O 1.901328 0.468820 -1.788200
O 2.282819 1.302875 0.890597
N -1.029423 -0.060354 0.152136
C -2.359362 -0.612895 0.565900
C -1.004902 1.288959 -0.487530
C 0.064425 -0.804767 0.403986
C -3.045857 -1.407640 -0.566266
C -0.884254 2.437721 0.539372
C 3.121993 -1.361322 0.109338
C -4.433689 -1.922550 -0.127346
C -0.928655 3.809973 -0.165794
C 4.537681 -0.809815 -0.030015
H -2.985830 0.243730 0.876321
H -2.204264 -1.262390 1.445523
H -1.947340 1.383523 -1.059594
H -0.176895 1.331662 -1.218664
H -3.148343 -0.764881 -1.462158
H -2.398644 -2.258040 -0.851307
H -1.704753 2.366045 1.281185
H 0.072987 2.326943 1.081733
H 2.872303 -1.731576 1.115087
H 2.833597 -2.091538 -0.662313
H -5.108693 -1.087387 0.138388
H -4.913188 -2.496956 -0.939288
H -4.353592 -2.587300 0.752709
H -1.874767 3.955334 -0.721894
H -0.840458 4.628623 0.569889
H -0.091806 3.911086 -0.880689
H 5.262986 -1.622482 0.160078
H 4.717542 -0.414856 -1.044646
H 4.721138 -0.003721 0.701079


