%chk=000084802.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084802

0 1
 S   -4.792500      0.6400000     -0.8390000    
 O    6.255300     -0.9938000     -1.8400000E-02
 O    4.624500      -2.629500     -5.8899999E-02
 O   -8.248500     -0.8722000      3.9700001E-02
 O   -7.666100      0.7672000      -1.306000    
 N    3.647300       1.593200     -8.2400002E-02
 N   -1.605400     -6.9100000E-02  0.9237000    
 N   -2.317300      0.1256000     -8.8600002E-02
 N   -4.068400      -1.193300      0.8335000    
 N   -7.358900     -0.1417000     -0.4828000    
 C    4.625800      0.6665000     -0.6163000    
 C    2.325700       1.169700      0.1689000    
 C    4.048000       2.956500      0.2028000    
 C    5.324000     -6.3000001E-02  0.5188000    
 C    1.949400     -0.1447000     -0.1075000    
 C    1.395200       2.065600      0.6954000    
 C   0.6423000     -0.5631000      0.1425000    
 C    3.614600       3.874700     -0.9237000    
 C  -0.2886000      0.3328000      0.6684000    
 C   8.8000000E-02   1.647200      0.9451000    
 C   0.2627000      -1.975600     -0.1616000    
 C    5.769500      -2.248700     -0.2612000    
 C    6.855500      -3.115600     -0.8226000    
 C   -3.623100     -0.2329000      5.9300002E-02
 C   -6.015700     -0.3414000     -0.1447000    
 C   -5.443200      -1.254600      0.7158000    
 H    4.228500     -1.0700000E-02  -1.380200    
 H    5.390700       1.225500      -1.174300    
 H    3.692300       3.308100       1.177800    
 H    5.142000       3.011400      0.2783000    
 H    5.892500      0.6469000       1.130600    
 H    4.619100     -0.5534000       1.200900    
 H    2.636800     -0.8791000     -0.5084000    
 H    1.623100       3.097800      0.9363000    
 H    4.052900       3.556800      -1.876300    
 H    2.529800       3.904600      -1.057700    
 H    3.953300       4.896900     -0.7254000    
 H  -0.6298000       2.352400       1.356600    
 H    1.135400      -2.589600     -0.4092000    
 H  -0.2190000      -2.442000      0.7044000    
 H  -0.4211000      -2.009600      -1.016000    
 H    7.673800      -3.197100     -0.1028000    
 H    7.212700      -2.696800      -1.766700    
 H    6.458300      -4.116700      -1.013600    
 H   -5.980800      -1.997300       1.290900    


%chk=000084802-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084802

0 1
S -4.611128 -1.774149 -0.744111
O 6.103273 -1.336837 0.034346
O 4.252519 -2.414162 -0.888782
O -8.380476 -1.307901 0.550733
O -7.446204 -2.795056 -0.936476
N 3.800173 1.683451 0.180683
N -1.771764 0.758165 0.328789
N -2.367020 -0.362529 -0.082489
N -4.512382 0.329006 0.964688
N -7.372667 -1.795169 -0.109436
C 4.763921 0.721557 -0.387069
C 2.433955 1.412383 0.199878
C 4.352106 2.977689 0.649747
C 5.178244 -0.347981 0.652161
C 1.929865 0.129526 -0.209405
C 1.485332 2.400305 0.634662
C 0.563861 -0.192934 -0.209937
C 4.343594 4.076127 -0.437319
C -0.380715 0.819758 0.229091
C 0.128671 2.095175 0.645269
C 0.152960 -1.580389 -0.653645
C 5.491835 -2.356178 -0.716557
C 6.525604 -3.321229 -1.244225
C -3.728189 -0.408459 0.151375
C -6.090505 -1.184640 0.090403
C -5.819913 -0.095205 0.927628
H 4.334797 0.224968 -1.273926
H 5.659885 1.273358 -0.720914
H 3.794384 3.310431 1.542755
H 5.390078 2.795069 0.983734
H 5.758982 0.089543 1.479248
H 4.290919 -0.873593 1.044741
H 2.623553 -0.657642 -0.522456
H 1.809116 3.396018 0.945909
H 4.935773 3.766451 -1.317182
H 3.317028 4.293439 -0.778778
H 4.782656 5.009614 -0.040840
H -0.611999 2.832984 0.969943
H 1.040747 -2.184766 -0.907238
H -0.429682 -2.095325 0.130227
H -0.522367 -1.534685 -1.525946
H 7.063229 -3.795746 -0.405067
H 7.275535 -2.784293 -1.850151
H 6.035840 -4.093562 -1.853815
H -6.582824 0.405313 1.525151


