%chk=000079955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079955

0 1
 S   0.7108000      0.5137000     -0.2088000    
 S    3.837500       1.963800     -0.2345000    
 S   -4.538600       1.645000      0.2383000    
 O    2.537800       2.514900      -1.051300    
 O    3.830200       2.597300       1.070700    
 O    4.995500       2.043100      -1.103900    
 O   -5.301100       1.454300       1.670200    
 O   -3.564100       2.710400      0.4113000    
 O   -5.545700       1.718300     -0.8068000    
 N   0.6542000      -2.035700      0.1779000    
 N   -5.732300      -1.091100     -0.3802000    
 C    2.220600     -0.2898000      1.0200000E-02
 C    3.517400      0.2489000      1.0300000E-02
 C    1.988000      -1.654600      0.2048000    
 C    4.594600     -0.6178000      0.2122000    
 C  -9.9799998E-02 -0.9818000     -3.0900000E-02
 C   -1.540900      -1.002100     -0.1199000    
 C    3.094300      -2.508400      0.4069000    
 C    4.388100      -1.978900      0.4082000    
 C   -3.659800      0.1511000     -1.1500000E-02
 C   -2.267500      0.1719000      7.3299997E-02
 C   -2.203500      -2.197000     -0.3978000    
 C   -4.323600      -1.043900     -0.2896000    
 C    6.003400     -0.1136000      0.2236000    
 C   -3.595500      -2.217900     -0.4826000    
 H    2.944200      -3.573300      0.5602000    
 H    5.226100      -2.654200      0.5627000    
 H   -1.781900       1.108000      0.3247000    
 H   -1.657700      -3.124100     -0.5552000    
 H    6.674800     -0.8542000      0.6762000    
 H    6.369500      5.3599998E-02 -0.7936000    
 H    6.118600      0.7852000      0.8370000    
 H   -4.100100      -3.155800     -0.7005000    
 H   -6.292600     -0.2639000     -0.2317000    
 H   -6.191000      -1.970000     -0.5816000    
 H    1.716200       2.625500     -0.5177000    
 H   -4.711300       1.322400       2.449400    


%chk=000079955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079955

0 1
S 0.731791 0.715208 0.034520
S 4.169840 2.019955 0.094352
S -4.790119 1.583748 -0.143507
O 2.498607 2.762145 0.401919
O 5.124888 2.366323 1.348432
O 4.650937 2.466746 -1.386418
O -4.968373 1.708526 1.701021
O -3.905424 2.832866 -0.657676
O -6.280378 1.343660 -0.761805
N 0.651236 -1.985395 0.032451
N -5.852492 -1.396540 -0.313241
C 2.283389 -0.213266 0.093009
C 3.629557 0.195601 0.132370
C 2.003542 -1.630154 0.085774
C 4.714422 -0.721281 0.152465
C -0.146473 -0.928822 -0.006340
C -1.603724 -0.999945 -0.069751
C 3.062491 -2.563357 0.121452
C 4.388710 -2.107884 0.152444
C -3.817842 0.003312 -0.165962
C -2.424406 0.150472 -0.093929
C -2.241147 -2.281050 -0.102297
C -4.489368 -1.259701 -0.217024
C 6.171909 -0.296349 0.171073
C -3.626488 -2.407874 -0.177697
H 2.822424 -3.629882 0.116393
H 5.211158 -2.829958 0.170886
H -1.998522 1.160686 -0.069704
H -1.603504 -3.169811 -0.076231
H 6.821498 -1.170427 0.005026
H 6.396335 0.447431 -0.615751
H 6.444149 0.164935 1.136834
H -4.085728 -3.402178 -0.212328
H -6.443693 -0.565984 -0.447788
H -6.267838 -2.324645 -0.336761
H 2.519338 3.690557 0.031021
H -5.435901 2.571635 1.902768


