%chk=000002560.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002560

0 1
 S    2.546500      0.2074000       2.165800    
 O    2.350200       2.316000      -1.688200    
 O    3.706600      -1.103900      -2.154600    
 O    5.794000     -0.9890000      -1.246000    
 O   -1.574400      0.8447000       1.625500    
 O   -4.997500       1.827700     -0.9066000    
 O   -3.781200       2.780400      0.7507000    
 N    2.520400      0.3297000     -0.4245000    
 N  -0.4740000       1.247500     -0.3780000    
 C    1.536700      0.1243000      0.6431000    
 C    4.016400     -0.5046000       1.272400    
 C    3.928400      0.1121000     -0.1414000    
 C   0.8660000       1.427600      0.1885000    
 C    1.982400       1.502300     -0.8713000    
 C    5.294700     -7.6300003E-02   1.995700    
 C    3.886100      -2.034500       1.296500    
 C    4.604100     -0.7122000      -1.217400    
 C   -1.596500      0.9670000      0.4022000    
 C   -2.879700      0.8290000     -0.4150000    
 C   -3.453300     -0.5718000     -0.2666000    
 C   -3.906600       1.907800     -9.8600000E-02
 C   -3.059400      -1.552600      -1.154500    
 C   -4.351400     -0.8215000      0.7515000    
 C   -3.585800      -2.837200      -1.018800    
 C   -4.877700      -2.106100      0.8874000    
 C   -4.494900      -3.113900      2.2000000E-03
 H   0.9672000     -0.8007000      0.5091000    
 H    4.408000       1.100600     -0.1687000    
 H   0.8989000       2.264500      0.8950000    
 H    6.181900     -0.4634000       1.482300    
 H    5.392900       1.014600       2.037900    
 H    5.322700     -0.4556000       3.024000    
 H    3.817300      -2.414600       2.322900    
 H    3.003900      -2.385100      0.7493000    
 H    4.761300      -2.513100      0.8432000    
 H  -0.6004000       1.331700      -1.383800    
 H   -2.637200      0.9923000      -1.474900    
 H    4.125400      -1.639700      -2.861600    
 H   -2.350200      -1.346200      -1.950400    
 H   -4.651500     -5.8100000E-02   1.462500    
 H   -3.286900      -3.622100      -1.707400    
 H   -5.582600      -2.323000       1.684800    
 H   -5.649500       2.533900     -0.7105000    
 H   -4.903800      -4.114400      0.1088000    


%chk=000002560-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002560

0 1
S 2.885256 -1.318812 1.800210
O 1.541109 2.743600 0.215068
O 4.574605 0.785922 -2.055603
O 6.236461 1.540034 -0.618226
O -1.849603 -0.529156 1.537750
O -2.059870 1.207389 -2.383447
O -3.915077 1.891775 -1.156020
N 2.719494 0.629199 -0.023883
N -0.490595 0.112242 -0.242186
C 1.962467 -0.607397 0.302514
C 4.547764 -0.637885 1.041897
C 4.128385 0.736486 0.346691
C 0.692079 0.290439 0.567572
C 1.634488 1.504327 0.231951
C 5.548492 -0.388410 2.182796
C 5.080115 -1.676534 0.030256
C 5.089356 1.074011 -0.794367
C -1.707071 -0.259385 0.317547
C -2.876637 -0.348253 -0.733416
C -4.164160 -0.904486 -0.151243
C -3.062939 1.021459 -1.395993
C -4.716440 -2.088080 -0.697784
C -4.825245 -0.263989 0.925254
C -5.915472 -2.628096 -0.179993
C -6.022263 -0.802081 1.442675
C -6.571557 -1.984166 0.892960
H 1.882087 -1.351027 -0.503660
H 4.246574 1.551213 1.086827
H 0.398101 0.279719 1.631432
H 6.460256 0.088726 1.777900
H 5.121961 0.273531 2.956304
H 5.841758 -1.339368 2.660687
H 5.231928 -2.642660 0.539062
H 4.380048 -1.834285 -0.808312
H 6.053971 -1.352525 -0.385200
H -0.481481 0.402209 -1.226837
H -2.509412 -1.022686 -1.530323
H 5.252393 1.025697 -2.745682
H -4.208933 -2.592342 -1.530216
H -4.404644 0.647401 1.359475
H -6.332610 -3.544870 -0.611106
H -6.525873 -0.300922 2.276501
H -2.150783 2.113216 -2.785770
H -7.500981 -2.399680 1.298438


