%chk=000145974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145974

0 1
 S   -3.506900       3.337000     -0.9112000    
 O    1.613100      -2.681700     -0.7112000    
 O    1.877700       1.073700      -1.938600    
 O   -1.260700     -0.6882000       2.402300    
 O   0.7119000      -1.728300       2.032500    
 O    1.480000       3.399300       2.048500    
 N    3.680100     -0.6905000      -1.925800    
 N   0.8754000     -0.4663000     -0.4919000    
 N    1.257900       3.142000     -0.2650000    
 C    3.286300      -1.029900     -0.5625000    
 C    3.493100      0.1475000      0.3889000    
 C    4.204900      -2.092900      3.7400000E-02
 C    4.980300      0.1160000      0.7348000    
 C    5.440000      -1.324200      0.5019000    
 C    1.858500      -1.477600     -0.5988000    
 C  -0.4190000     -0.7547000      0.1288000    
 C    1.132100      0.8367000     -0.9840000    
 C   -1.145100      -1.888000     -0.6076000    
 C   0.3938000       1.985700     -0.2810000    
 C  -0.2556000      -1.111300       1.599000    
 C  -0.9562000       2.291700     -0.9492000    
 C   -2.636800      -1.881200     -0.3747000    
 C   -1.951100       3.006800     -3.1099999E-02
 C   -3.179200      -2.595600      0.6936000    
 C   -3.472700      -1.160000      -1.227400    
 C    1.713400       3.731700      0.8936000    
 C   -4.557400      -2.589100      0.9090000    
 C   -4.850900      -1.153500      -1.011900    
 C   -5.393100      -1.868100      5.6400001E-02
 C   -4.413900       4.113000      0.4456000    
 H    3.286300       1.142400     -5.7000001E-03
 H    2.906700      2.7300000E-02   1.309100    
 H    3.731300      -2.573900      0.9037000    
 H    4.466300      -2.891800     -0.6659000    
 H    5.544600      0.7951000      8.5000001E-02
 H    5.153200      0.4336000       1.768300    
 H    5.865900      -1.766500       1.408200    
 H    6.218200      -1.346400     -0.2699000    
 H    3.559000      -1.494200      -2.540200    
 H    3.139400      6.9399998E-02  -2.319500    
 H   -1.065200      0.1150000      0.1214000    
 H  -0.9674000      -1.813500      -1.689200    
 H  -0.7633000      -2.872500     -0.3090000    
 H   0.2313000       1.693800      0.7626000    
 H  -0.7652000       2.931100      -1.824000    
 H   -1.414900       1.389600      -1.368400    
 H    1.569200       3.522100      -1.154400    
 H   -2.164800       2.381600      0.8419000    
 H   -1.530400       3.956500      0.3142000    
 H   -2.541100      -3.165900       1.363200    
 H   -3.062300     -0.5977000      -2.061800    
 H   -1.112200     -0.9391000       3.338900    
 H    2.360800       4.592900      0.6598000    
 H   -4.979800      -3.146100       1.740100    
 H   -5.501500     -0.5910000      -1.675000    
 H   -6.466100      -1.862800      0.2242000    
 H   -4.522800       3.414900       1.279700    
 H   -3.896300       5.014200      0.7844000    
 H   -5.411000       4.395500      9.7400002E-02


%chk=000145974-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145974

0 1
S -3.622581 3.187085 -1.686264
O 1.475852 -1.979777 -1.803600
O 2.248840 1.670736 -1.350808
O -0.647230 -0.878440 2.499977
O 0.873541 -2.305400 1.474698
O -0.161638 4.406207 1.825992
N 4.178057 -0.458609 -1.760768
N 0.955594 -0.072538 -0.506465
N 0.993862 3.596486 -0.041217
C 3.409885 -1.029281 -0.625277
C 3.744791 -0.267153 0.681743
C 3.930390 -2.463568 -0.311191
C 5.155585 -0.793140 1.068739
C 5.261375 -2.230557 0.455791
C 1.919032 -1.099673 -1.032932
C -0.299913 -0.567450 0.139156
C 1.225882 1.277987 -0.699227
C -1.219820 -1.426994 -0.796801
C 0.237061 2.342567 -0.162808
C 0.062964 -1.356940 1.404406
C -0.977998 2.475283 -1.138551
C -2.554655 -1.742662 -0.135580
C -2.108912 3.335345 -0.551270
C -2.752799 -2.985024 0.519516
C -3.616796 -0.801351 -0.152455
C 0.762108 4.505995 0.966586
C -3.981349 -3.279790 1.152300
C -4.845713 -1.093940 0.479601
C -5.031187 -2.332722 1.136853
C -4.791828 4.316805 -0.737590
H 3.726507 0.827532 0.553034
H 3.006039 -0.544268 1.457670
H 3.188183 -2.973071 0.328821
H 4.049313 -3.066011 -1.228447
H 5.929581 -0.141743 0.629757
H 5.296410 -0.791936 2.164671
H 5.406268 -3.003803 1.231653
H 6.121637 -2.285693 -0.232471
H 4.201968 -1.078231 -2.579499
H 3.861167 0.493553 -1.989170
H -0.886296 0.301672 0.465570
H -1.368719 -0.842147 -1.723478
H -0.684350 -2.346052 -1.078845
H -0.132224 2.093501 0.850354
H -0.618484 2.906694 -2.091228
H -1.373904 1.469129 -1.375727
H 1.806342 3.682018 -0.664100
H -2.396722 2.987249 0.455504
H -1.821573 4.396882 -0.486341
H -1.944609 -3.727508 0.523255
H -3.498669 0.158815 -0.673630
H -0.453775 -1.430216 3.306979
H 1.480439 5.355718 0.945030
H -4.122304 -4.247023 1.647845
H -5.658793 -0.359950 0.451008
H -5.986398 -2.560789 1.622974
H -4.940749 3.939696 0.286688
H -4.390861 5.342335 -0.711173
H -5.750027 4.307762 -1.279762


