%chk=000071869.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071869

1 1
 S   -6.725700      -1.815700      0.2114000    
 O    1.716800       1.045100      0.4712000    
 O    2.822900      0.3345000      -1.419600    
 O   -8.305200      -1.409600      0.1854000    
 O   -6.399600      -2.338000       1.525600    
 O   -6.414400      -2.554800     -0.9984000    
 O    4.060900       2.659800       1.639700    
 N   -2.405000       1.131700      0.2870000    
 C   -1.726800       2.449600     -0.1421000    
 C   -1.756900      0.1579000     -0.7193000    
 C   -1.843800       2.409600      -1.674800    
 C   -1.863700      0.9220000      -2.049400    
 C  -0.2479000       2.431500      0.2839000    
 C  -0.2806000     -6.4300001E-02 -0.3449000    
 C   0.5310000       1.239300     -0.2929000    
 C   -3.932800       1.200600      9.2799999E-02
 C   -2.210400      0.7591000       1.755400    
 C   -4.554100     -0.1823000      0.2342000    
 C   -6.067300     -0.1838000      6.5099999E-02
 C    2.805400      0.5834000     -0.2210000    
 C    3.989800      0.4207000      0.7274000    
 C    4.777700       1.734700      0.8277000    
 C    4.867100     -0.7487000      0.3095000    
 C    4.612600      -2.025500      0.8105000    
 C    5.926200     -0.5451000     -0.5752000    
 C    5.417100      -3.098500      0.4271000    
 C    6.730600      -1.618200     -0.9587000    
 C    6.476100      -2.894800     -0.4576000    
 H   -2.266800       3.288100      0.3099000    
 H   -2.258300     -0.8091000     -0.7257000    
 H   -2.768500       2.894400      -2.008400    
 H   -1.024600       2.942000      -2.170000    
 H   -1.059900      0.6656000      -2.747800    
 H   -2.806500      0.6800000      -2.554100    
 H  -0.1454000       2.478500       1.373600    
 H   0.2361000       3.355500     -6.1299998E-02
 H   0.1828000     -0.7399000      -1.075800    
 H  -0.2018000     -0.5981000      0.6100000    
 H   0.7986000       1.519600      -1.320700    
 H   -4.328900       1.902100      0.8367000    
 H   -4.157700       1.609800     -0.8953000    
 H   -1.162300      0.8451000       2.040900    
 H   -2.803500       1.437600       2.375400    
 H   -2.496100     -0.2832000       1.908100    
 H   -4.337300     -0.6259000       1.208700    
 H   -4.170800     -0.8705000     -0.5223000    
 H   -6.533300      0.4304000      0.8425000    
 H   -6.354800      0.2055000     -0.9165000    
 H    3.582200      0.1864000       1.721300    
 H    5.753500       1.581300       1.301300    
 H    4.924500       2.198800     -0.1537000    
 H   -8.646300      -1.088200     -0.6822000    
 H    3.789100      -2.198200       1.498200    
 H    6.141100      0.4314000     -0.9981000    
 H    4.590100       3.474600       1.678700    
 H    5.218500      -4.092700      0.8164000    
 H    7.552700      -1.461000      -1.650800    
 H    7.101700      -3.730500     -0.7573000    


%chk=000071869-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071869

1 1
S -6.645135 -2.153892 -0.438593
O 1.887509 1.386499 0.554859
O 2.916083 1.320678 -1.532606
O -8.331893 -1.601795 0.061311
O -5.963909 -3.073240 0.705917
O -6.619383 -2.629731 -1.981481
O 4.988339 3.181623 0.271844
N -2.256126 0.878149 0.347801
C -1.763439 2.368544 0.507208
C -1.508600 0.507604 -0.983009
C -1.981604 2.943702 -0.921943
C -1.831094 1.722755 -1.894146
C -0.276036 2.391188 0.912582
C 0.000005 0.372683 -0.692844
C 0.611747 1.686214 -0.137585
C -3.796014 0.879791 0.174758
C -1.915558 -0.025552 1.522992
C -4.410554 -0.510704 -0.075958
C -5.926174 -0.370430 -0.277512
C 3.013656 1.232200 -0.290414
C 4.260790 0.914630 0.520848
C 5.421417 1.799080 0.023003
C 4.603785 -0.579491 0.430195
C 4.807505 -1.325758 1.617495
C 4.759286 -1.220119 -0.826488
C 5.167270 -2.691078 1.552712
C 5.116350 -2.585304 -0.889777
C 5.322494 -3.324545 0.298360
H -2.393074 2.844477 1.278181
H -1.917145 -0.445567 -1.355045
H -2.966014 3.428705 -1.023559
H -1.228273 3.721308 -1.124499
H -1.013729 1.872228 -2.617285
H -2.747594 1.557454 -2.484451
H -0.107111 1.953697 1.911188
H 0.027019 3.449707 1.000207
H 0.505417 0.114309 -1.639779
H 0.206303 -0.461506 0.000807
H 0.838723 2.363264 -0.981740
H -4.199060 1.322331 1.104034
H -4.033115 1.558894 -0.656803
H -0.864950 0.083600 1.808939
H -2.556004 0.247854 2.376315
H -2.098902 -1.072175 1.240435
H -4.239675 -1.188418 0.779170
H -3.969368 -0.981746 -0.973996
H -6.460680 0.041212 0.592526
H -6.236683 0.119248 -1.212977
H 4.056557 1.182844 1.571100
H 6.336678 1.548322 0.594986
H 5.600382 1.619255 -1.056050
H -8.978096 -2.358343 -0.047430
H 4.694900 -0.837232 2.593050
H 4.595867 -0.655286 -1.751824
H 5.669354 3.815758 -0.063441
H 5.330507 -3.256152 2.476760
H 5.239874 -3.070712 -1.864038
H 5.605275 -4.381428 0.247387


