%chk=000034330.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034330

0 1
 S   -3.153600       1.365200      -1.868900    
 P   -3.060500      2.4400000E-02 -0.4501000    
 O  -0.2646000      0.5296000     -0.2815000    
 O   -2.378700      -1.382500     -0.9122000    
 O   -4.513700     -0.4736000      9.9299997E-02
 O  -0.1489000       1.077400       1.965700    
 N   -2.194500      0.5051000       1.000800    
 C    4.285700      -1.217800      6.7500003E-02
 C    3.339200     -9.3800001E-02 -0.1863000    
 C    4.129900      -2.361000     -0.9532000    
 C    4.167700      -1.775800       1.498500    
 C    1.963100     -0.3106000     -0.1139000    
 C    3.830000       1.174500     -0.4964000    
 C    1.114400      0.7466000     -0.3534000    
 C    2.944900       2.226000     -0.7341000    
 C    1.568900       2.009100     -0.6617000    
 C  -0.8107000      0.7367000      0.9869000    
 C   -2.929400      0.6718000       2.249800    
 C   -2.391100      -2.508200     -4.9800001E-02
 C   -5.498300     -0.9433000     -0.8068000    
 H    5.314200     -0.8458000     -3.7200000E-02
 H    3.154000      -2.851700     -0.8727000    
 H    4.900400      -3.123500     -0.7961000    
 H    4.232900      -1.984900      -1.977200    
 H    4.298200     -0.9786000       2.238800    
 H    4.938400      -2.532700       1.680100    
 H    3.193100      -2.242800       1.676800    
 H    1.558700      -1.289700      0.1248000    
 H    4.898900       1.361000     -0.5571000    
 H    3.326800       3.213600     -0.9758000    
 H   0.8796000       2.826800     -0.8475000    
 H   -3.308800     -0.3061000       2.557200    
 H   -3.765100       1.353000       2.070300    
 H   -2.298300       1.077900       3.043600    
 H   -2.009900      -2.239800      0.9381000    
 H   -1.746300      -3.279700     -0.4779000    
 H   -3.405100      -2.905100      3.6600001E-02
 H   -5.043900      -1.545400      -1.598000    
 H   -6.031800     -9.4999999E-02  -1.242400    
 H   -6.210100      -1.562900     -0.2558000    


%chk=000034330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034330

0 1
S -2.668674 2.344116 -0.526196
P -3.026833 0.353432 -0.185563
O -0.349291 -0.202957 -0.132960
O -2.876099 -0.576027 -1.639312
O -4.625570 -0.051566 0.391003
O -0.100002 -1.154021 2.027426
N -2.192777 -0.542212 1.123908
C 4.661478 -0.733782 0.475974
C 3.434515 -0.213625 -0.279178
C 4.683159 -2.284710 0.532899
C 4.753175 -0.128523 1.902284
C 2.127737 -0.484475 0.209044
C 3.583653 0.540132 -1.468650
C 1.017978 0.012799 -0.502134
C 2.452481 1.024932 -2.167191
C 1.153475 0.765365 -1.688549
C -0.796809 -0.674009 1.105126
C -2.918099 -0.983777 2.342581
C -2.910322 -2.055653 -1.565922
C -5.759794 0.749249 -0.120655
H 5.558887 -0.406046 -0.086826
H 3.813668 -2.673007 1.095024
H 5.599225 -2.640204 1.040456
H 4.654628 -2.723022 -0.481028
H 4.773843 0.975570 1.867358
H 5.669849 -0.478215 2.412645
H 3.886398 -0.430829 2.518449
H 1.977087 -1.057755 1.125934
H 4.590383 0.750464 -1.848819
H 2.582034 1.610022 -3.084040
H 0.257176 1.134445 -2.194684
H -3.692910 -1.721858 2.086779
H -3.393712 -0.127106 2.847530
H -2.168560 -1.433739 3.012693
H -1.980497 -2.440481 -1.111939
H -2.977227 -2.377561 -2.616079
H -3.792779 -2.410197 -1.002335
H -5.958267 0.511061 -1.180697
H -5.552110 1.828983 -0.010831
H -6.614799 0.453190 0.505279


