%chk=000001763.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001763

0 1
 S    3.271400       1.039500     -0.1258000    
 O   0.7412000     -0.5967000      0.4100000    
 O  -0.8065000      -3.744600     -0.3362000    
 O    1.862700      -3.332600      1.7899999E-02
 N   -1.610700     -0.7759000      0.6300000    
 N   -3.695300     -0.2618000       1.235000    
 N   -1.116600       1.119100     -0.8076000    
 N   -3.011800       2.651000     -0.9396000    
 N   -5.061900       2.262500      0.2323000    
 N    7.001600       2.380500      0.7174000    
 C  -0.2807000      -2.469800     -0.6452000    
 C    1.209000      -2.492500     -0.9281000    
 C  -0.3568000      -1.521900      0.5465000    
 C    1.561600      -1.026700     -0.6985000    
 C    3.016900     -0.7376000     -0.3810000    
 C   -1.907200      0.4036000      6.3999998E-03
 C   -2.716900      -1.134700       1.355400    
 C   -3.202900      0.7049000      0.3947000    
 C    5.046000       1.006300      0.2168000    
 C   -3.754000       1.878300     -0.1104000    
 C    5.568400       2.419700      0.4423000    
 C   -1.757800       2.229600      -1.232400    
 H  -0.8247000      -2.063000      -1.506800    
 H    1.448300      -2.852300      -1.933100    
 H  -0.2375000      -2.046800       1.502300    
 H    1.241100     -0.4461000      -1.574200    
 H    3.658200      -1.084400      -1.197300    
 H    3.314700      -1.238900      0.5456000    
 H  -0.6210000      -4.326800      -1.092500    
 H    2.798300      -3.390500     -0.2402000    
 H   -2.751000      -2.038900       1.947700    
 H    5.224400      0.3903000       1.105100    
 H    5.561300      0.5439000     -0.6324000    
 H    5.393900       3.045300     -0.4406000    
 H    5.062400       2.887900       1.294100    
 H   -1.192300       2.872300      -1.898700    
 H   -5.617800       1.687600      0.8508000    
 H   -5.440100       3.119600     -0.1477000    
 H    7.351900       3.332300      0.8182000    
 H    7.493300       1.978300     -7.9700001E-02


%chk=000001763-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001763

0 1
S 3.374968 0.796990 0.936647
O 0.822154 -1.098460 1.059642
O -0.030512 -3.933312 -0.155077
O 1.895373 -2.860265 -1.511906
N -1.589008 -0.767114 0.848661
N -3.297013 0.506197 1.721075
N -1.602489 0.120446 -1.491714
N -3.337090 1.836306 -1.812399
N -4.782650 2.536351 -0.077880
N 7.217849 2.321057 0.584906
C -0.347919 -2.550437 -0.467989
C 0.841899 -1.857244 -1.247900
C -0.470195 -1.737731 0.852173
C 1.374732 -0.755247 -0.287380
C 2.890419 -0.663088 -0.171795
C -2.045283 0.048931 -0.198406
C -2.372913 -0.436342 1.969768
C -3.101076 0.817624 0.362289
C 5.134040 1.043259 0.266093
C -3.755179 1.741676 -0.504544
C 5.864941 2.090910 1.125346
C -2.306829 1.037743 -2.222424
H -1.282329 -2.532261 -1.051114
H 0.475247 -1.402140 -2.181375
H -0.630149 -2.419435 1.701833
H 0.950796 0.219414 -0.597353
H 3.323515 -0.479810 -1.170520
H 3.308233 -1.594252 0.237953
H 0.931197 -4.057732 -0.407534
H 1.843010 -3.158788 -2.452223
H -2.216362 -0.917301 2.933340
H 5.675682 0.083870 0.307655
H 5.061957 1.375847 -0.786181
H 5.239099 3.012434 1.189433
H 5.963264 1.699577 2.154312
H -2.009353 1.150735 -3.269447
H -5.098315 2.479426 0.888253
H -5.213973 3.183374 -0.734694
H 7.913742 2.630733 1.266485
H 7.249621 2.858060 -0.285509


