%chk=000118634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118634

0 1
 S    5.752200     -0.6952000      0.4362000    
 S  -0.1164000       1.905800     -0.3498000    
 S    2.606100       3.160900     -0.5995000    
 O    1.106100      -1.703600     -0.5458000    
 O    6.147200     -0.6579000       2.018200    
 O    6.496600      0.3413000     -0.2555000    
 O    5.770900      -2.074200     -1.6600000E-02
 N   -5.193400      9.1100000E-02  0.1032000    
 N    2.008700      0.4667000     -0.5886000    
 C   -6.209100     -0.9475000      0.1929000    
 C   -5.483300      -2.161800     -0.3891000    
 C   -4.011100      -1.932200     -4.0399998E-02
 C   -3.914700     -0.4251000     -1.8700000E-02
 C   -5.554400       1.472800      0.3236000    
 C   -2.748300      0.2242000     -0.1211000    
 C   -4.972200       1.961700       1.635900    
 C   -1.478700     -0.4461000     -0.2612000    
 C    3.408200      7.5000003E-02 -0.7328000    
 C  -0.3130000      0.2021000     -0.3636000    
 C    4.073200     -0.1762000      0.6069000    
 C   0.9918000     -0.4856000     -0.5075000    
 C    1.633800       1.803700     -0.5264000    
 H   -7.107400     -0.7063000     -0.3842000    
 H   -6.484500      -1.117900       1.239600    
 H   -5.606400      -2.178000      -1.479900    
 H   -5.868200      -3.106800      5.2000000E-03
 H   -3.380000      -2.417400     -0.7901000    
 H   -3.788400      -2.340000      0.9520000    
 H   -5.190100       2.093800     -0.5028000    
 H   -6.644700       1.586100      0.3458000    
 H   -2.767200       1.307900     -0.1355000    
 H   -3.881100       2.006700       1.638000    
 H   -5.334700       2.973500       1.846400    
 H   -5.281000       1.317700       2.466700    
 H   -1.462600      -1.531200     -0.2708000    
 H    3.963300      0.8183000      -1.313000    
 H    3.435000     -0.8509000      -1.321000    
 H    3.544200     -0.9523000       1.170200    
 H    4.074500      0.7385000       1.208900    
 H    6.233300      0.2416000       2.413100    


%chk=000118634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118634

0 1
S 5.904111 -0.753255 0.406097
S -0.033485 2.100170 -0.185107
S 2.881864 3.168978 -0.317449
O 1.165833 -1.653837 -0.636257
O 6.530050 0.142011 1.919296
O 6.552640 -0.105069 -0.927754
O 6.023028 -2.348983 0.644996
N -5.252873 0.063517 0.052179
N 2.064133 0.539369 -0.525402
C -6.310210 -0.971239 0.190972
C -5.636677 -2.235023 -0.396550
C -4.120442 -1.994125 -0.152073
C -3.991798 -0.474450 -0.086339
C -5.544649 1.490970 0.268167
C -2.801557 0.259445 -0.127781
C -5.397165 1.929836 1.744113
C -1.525704 -0.348948 -0.293047
C 3.437864 0.043358 -0.718481
C -0.296990 0.292227 -0.336399
C 4.100977 -0.126738 0.657872
C 0.968210 -0.408817 -0.510116
C 1.778901 1.890829 -0.358531
H -7.217768 -0.666500 -0.360321
H -6.584873 -1.107284 1.257688
H -5.839601 -2.296735 -1.479643
H -6.001280 -3.161333 0.075264
H -3.490179 -2.431370 -0.943070
H -3.790904 -2.433278 0.809192
H -4.873803 2.087415 -0.376954
H -6.576109 1.679634 -0.081921
H -2.843133 1.350418 -0.023194
H -4.372618 1.745644 2.110621
H -5.608686 3.009643 1.841100
H -6.101963 1.384837 2.396902
H -1.461530 -1.441707 -0.396750
H 3.997634 0.771453 -1.329083
H 3.356452 -0.923419 -1.243730
H 3.643223 -0.907634 1.282998
H 4.232705 0.827877 1.188793
H 7.490573 -0.104684 2.048604


