%chk=000087355.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087355

0 1
 S    3.319400     -0.7581000      4.3099999E-02
 S   -3.552700     -0.5638000      4.9500000E-02
 S   0.1393000       3.529100      9.5299996E-02
 O    3.539900      -1.383700      -1.446900    
 O   -3.741000      0.1092000      -1.425200    
 O   0.1043000       3.975000      -1.477200    
 O    4.169900      0.4125000      0.1521000    
 O    3.394000      -1.835900       1.010700    
 O   -4.472200      -1.684500      0.1328000    
 O   -3.568200      0.4950000       1.042000    
 O   -1.157500       3.869300      0.6621000    
 O    1.365100       4.045300      0.6841000    
 N    1.817200      -3.131200      1.6700000E-02
 C   0.5035000      -1.011300      4.1999999E-02
 C  -0.7749000     -0.4044000      5.0099999E-02
 C    1.649200     -0.1990000      5.0700001E-02
 C   -1.920600      -1.216600      4.1099999E-02
 C   0.2786000       1.788300      7.5000003E-02
 C  -0.8701000      0.9966000      6.6399999E-02
 C   0.5987000      -2.412400      2.5800001E-02
 C    1.535800       1.191500      6.7100003E-02
 C   -1.807500      -2.607100      2.5100000E-02
 C  -0.5503000      -3.203700      1.7600000E-02
 H   -1.818600       1.514300      1.0500000E-02
 H    2.404900       1.840300      5.7500001E-02
 H   -2.673900      -3.261100      1.5200000E-02
 H  -0.4836000      -4.289200      6.0999999E-03
 H    2.303600      -3.140600      0.9062000    
 H    1.794400      -4.040100     -0.4347000    
 H    3.434200     -0.7481000      -2.193400    
 H   -3.669800     -0.5129000      -2.187000    
 H  -0.6549000       3.623700      -1.999400    


%chk=000087355-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087355

0 1
S 3.486002 -0.580057 -0.154831
S -3.686237 -0.745249 -0.047737
S -0.057329 3.564088 0.193469
O 3.308696 -1.322856 -1.829061
O -3.576309 -0.021556 -1.759939
O 0.105304 3.790212 -1.638712
O 4.319111 0.795641 -0.241917
O 4.051235 -1.722610 0.861547
O -4.698476 -2.005730 -0.045752
O -3.935938 0.490479 0.972397
O -1.559042 3.929630 0.656586
O 1.231390 4.225248 0.910895
N 1.799533 -3.266898 0.399893
C 0.531528 -1.128416 0.107266
C -0.810346 -0.526418 0.078235
C 1.614201 -0.179795 0.062381
C -1.942867 -1.392716 0.002886
C 0.155214 1.700603 0.122798
C -0.967546 0.900478 0.107795
C 0.626591 -2.590161 0.183063
C 1.473423 1.203408 0.065341
C -1.830198 -2.781611 -0.060852
C -0.560096 -3.362484 0.043820
H -1.966936 1.347437 0.144750
H 2.339217 1.874725 0.019863
H -2.729097 -3.399378 -0.151514
H -0.471760 -4.454017 0.051528
H 2.694621 -2.823663 0.661577
H 1.772282 -4.285569 0.391017
H 4.224702 -1.532507 -2.178218
H -4.409395 0.513084 -1.915464
H 0.104721 4.773059 -1.832112


