%chk=000039528.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039528

0 1
 S   0.7798000       1.609000      7.1599998E-02
 O   0.8014000       2.322700       1.330000    
 O   0.6987000       2.263700      -1.215900    
 O   -1.809200      8.2999997E-02  -2.160000    
 O  -0.3173000      -2.073900      0.1950000    
 N  -0.3372000      0.3008000      0.1474000    
 N   -3.674600     -0.4917000     -0.9756000    
 C   -1.789300      0.5810000      0.1945000    
 C   -2.366400      3.8000001E-03   1.479900    
 C   -3.884300      5.9900001E-02   1.429400    
 C   -2.396700      1.7500000E-02  -1.078300    
 C   -4.369500     -0.7820000      0.2647000    
 C    2.131600      0.5104000      4.2700000E-02
 C   0.2617000      -1.003700      0.1509000    
 C    1.725500     -0.8231000      8.8699996E-02
 C    3.457700      0.8855000     -1.8700000E-02
 C    2.663800      -1.840600      7.4400000E-02
 C    4.408600     -0.1359000     -3.3399999E-02
 C    4.015700      -1.486500      1.2700000E-02
 H   -1.965200       1.663700      0.1720000    
 H   -2.000200      0.5772000       2.340100    
 H   -2.057800      -1.034000       1.646400    
 H   -4.314300     -0.3102000       2.366300    
 H   -4.213400       1.098900       1.306300    
 H   -4.213400      -1.846800      0.4705000    
 H   -5.439100     -0.6275000      9.1899998E-02
 H   -4.103400     -0.8312000      -1.831100    
 H    3.758200       1.926100     -5.4000001E-02
 H    2.372400      -2.884800      0.1095000    
 H    5.465500      0.1123000     -8.1100002E-02
 H    4.774900      -2.264300       0.000000    


%chk=000039528-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039528

0 1
S 0.848854 1.762587 0.270699
O 0.883583 2.511618 1.708586
O 0.549274 2.662639 -1.041177
O -1.623783 -0.215838 -2.083448
O -0.306318 -2.067445 0.290242
N -0.338862 0.273850 0.372688
N -3.622315 -0.636297 -0.986652
C -1.781991 0.486620 0.279174
C -2.522404 0.050810 1.566966
C -4.044314 0.143016 1.336644
C -2.320023 -0.177788 -1.029881
C -4.464211 -0.823824 0.215154
C 2.267216 0.538892 0.071820
C 0.297951 -0.956623 0.257308
C 1.780648 -0.778770 0.109915
C 3.613846 0.881488 -0.073121
C 2.702368 -1.838489 -0.011336
C 4.528952 -0.195694 -0.195728
C 4.075429 -1.537683 -0.164531
H -1.936527 1.575772 0.126839
H -2.201155 0.696425 2.403188
H -2.236882 -0.988364 1.811723
H -4.589105 -0.119538 2.261402
H -4.328701 1.178890 1.067398
H -4.374334 -1.869539 0.576817
H -5.520006 -0.655998 -0.067102
H -3.949205 -1.040329 -1.869666
H 3.951657 1.921478 -0.096623
H 2.329616 -2.867447 0.010738
H 5.595610 0.017696 -0.318039
H 4.799331 -2.352815 -0.263199


