%chk=000097432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097432

0 1
 S  -1.0000000E-03  1.9999999E-04   1.971600    
 O  -6.1900001E-02   1.258300       2.698900    
 O   8.9400001E-02  -1.257300       2.698500    
 O   -1.446500       3.240800     -0.4910000    
 O    1.443000      -3.241000     -0.4913000    
 O  -3.8300000E-02   2.344200      0.9345000    
 O   3.5700001E-02  -2.344100      0.9350000    
 O   -5.510100      -1.316300      -1.515500    
 O    5.505800       1.315900      -1.519800    
 O   -5.180100      0.7556000      -2.161300    
 O    5.175300     -0.7563000      -2.164900    
 N   -1.060000       2.277300      0.2113000    
 N    1.056900      -2.277400      0.2111000    
 N   -4.850100     -0.2496000      -1.487000    
 N    4.845800      0.2492000      -1.490500    
 C   -1.420900     -3.8800001E-02  0.9461000    
 C    1.433500      3.9400000E-02  0.9341000    
 C   -1.806600       1.066500      0.1874000    
 C    1.803500      -1.066500      0.1863000    
 C   -2.171900      -1.213400      0.8990000    
 C    2.169300       1.213500      0.8970000    
 C   -2.943100      0.9968000     -0.6185000    
 C    2.939300     -0.9971000     -0.6204000    
 C   -3.693800     -0.1778000     -0.6656000    
 C    3.690000      0.1776000     -0.6684000    
 C   -3.308200      -1.282900      9.3000002E-02
 C    3.305000       1.282900      9.0300001E-02
 H   -2.016700      -2.053400       1.569400    
 H    2.013500       2.052600       1.567400    
 H   -3.247700       1.855300      -1.212600    
 H    3.243600      -1.855700      -1.214400    
 H   -3.886900      -2.203200      0.1043000    
 H    3.883800       2.203100      0.1011000    


%chk=000097432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097432

0 1
S 0.000999 -0.000562 1.708900
O -0.006851 1.401993 2.535825
O 0.009969 -1.404901 2.532734
O -1.831386 3.138960 -1.125290
O 1.828611 -3.139073 -1.126976
O -0.001334 1.990554 -0.390844
O 0.000144 -1.990166 -0.389176
O -6.344581 -1.255724 -0.513938
O 6.343072 1.256034 -0.523175
O -6.019992 0.716097 -1.620159
O 6.016928 -0.715832 -1.628853
N -1.273635 2.120270 -0.583301
N 1.272086 -2.120453 -0.583599
N -5.628386 -0.241246 -0.853690
N 5.626386 0.241559 -0.861902
C -1.649110 -0.041001 0.682049
C 1.649539 0.041050 0.680077
C -2.128381 0.986139 -0.156194
C 2.127674 -0.986136 -0.158665
C -2.456714 -1.136211 1.020063
C 2.457618 1.136267 1.016944
C -3.441390 0.933520 -0.663748
C 3.439767 -0.933394 -0.668533
C -4.237502 -0.171124 -0.315491
C 4.236342 0.171336 -0.321545
C -3.769427 -1.212270 0.512893
C 3.769504 1.212422 0.507629
H -2.045268 -1.911484 1.676371
H 2.047121 1.911481 1.673912
H -3.820803 1.726513 -1.314331
H 3.818250 -1.726474 -1.319548
H -4.426241 -2.053972 0.746531
H 4.426590 2.054224 0.740131


