%chk=000004081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004081

0 1
 S   -3.778200      0.9929000     -0.2299000    
 O   -4.298300      0.7881000      -1.576200    
 O   -2.750700       2.002900     -8.6000003E-03
 N  -0.3287000      -2.857900     -0.7158000    
 N    4.316500      0.5019000       1.167900    
 N   -5.097200       1.299200      0.8349000    
 C   0.3914000     -0.5058000      -1.145000    
 C   0.8215000      -1.937500     -0.6211000    
 C  -0.8405000      4.9000001E-03 -0.3846000    
 C   -1.976100      -1.021500     -0.4484000    
 C   -1.501900      -2.400300      3.5900000E-02
 C    1.542700      -1.925300      0.7841000    
 C    1.532000      0.4824000      -1.026900    
 C    2.509300      0.2322000     -5.8200002E-02
 C    2.592300     -0.8647000      0.8226000    
 C   -3.176700     -0.5464000      0.3688000    
 C    3.581000       1.077400      0.1544000    
 C   9.3000000E-03  -4.236800     -0.3745000    
 C    1.673900       1.651800      -1.780700    
 C    3.724300     -0.6758000       1.580300    
 C    3.742000       2.244700     -0.5933000    
 C    2.761900       2.511700      -1.565600    
 C    5.536000       1.041400       1.729500    
 C   -6.202000      0.3086000      0.8663000    
 C   -4.783800       1.832200       2.184200    
 H   0.1397000     -0.6060000      -2.210700    
 H    1.573800      -2.294400      -1.342300    
 H  -0.5915000      0.2507000      0.6553000    
 H   -1.106400      0.9277000     -0.9000000    
 H   -2.284800      -1.119600      -1.499000    
 H   -1.297700      -2.377000       1.113700    
 H   -2.325300      -3.111200     -0.1118000    
 H    2.007200      -2.898800      0.9775000    
 H   0.8241000      -1.731100       1.587900    
 H   -2.905000     -0.4198000       1.421400    
 H   -3.986500      -1.278300      0.2942000    
 H   0.8811000      -4.577200     -0.9441000    
 H  -0.8163000      -4.906300     -0.6412000    
 H   0.2165000      -4.368800      0.6928000    
 H   0.9379000       1.903100      -2.540000    
 H    4.160100      -1.271500       2.371200    
 H    4.576700       2.918700     -0.4380000    
 H    2.849400       3.413800      -2.167400    
 H    5.902400      0.3784000       2.517300    
 H    6.278800       1.115500      0.9313000    
 H    5.315800       2.027300       2.146600    
 H   -5.959400     -0.5245000       1.531900    
 H   -6.408100     -7.4699998E-02 -0.1368000    
 H   -7.116300      0.7934000       1.222800    
 H   -4.315300       1.063200       2.804300    
 H   -5.702800       2.169200       2.674400    
 H   -4.121700       2.698900       2.109100    


%chk=000004081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004081

0 1
S -3.940634 1.185334 0.067714
O -4.104504 0.908158 -1.526671
O -3.189445 2.508710 0.641449
N -0.350094 -2.723042 -0.535860
N 4.710910 0.359975 0.934092
N -5.700537 1.275882 0.740468
C 0.441624 -0.411558 -0.965828
C 0.857773 -1.856401 -0.518911
C -0.708994 0.132673 -0.072272
C -1.911198 -0.839221 -0.087605
C -1.456018 -2.265623 0.325955
C 1.664742 -1.903060 0.837902
C 1.638017 0.531631 -0.975365
C 2.702076 0.208524 -0.107010
C 2.810945 -0.923295 0.772705
C -3.045834 -0.392571 0.834657
C 3.884250 0.999994 -0.001665
C -0.078274 -4.166047 -0.419792
C 1.781959 1.698680 -1.750971
C 4.052693 -0.808545 1.396225
C 4.028429 2.176941 -0.774618
C 2.959599 2.503879 -1.641742
C 6.034498 0.823212 1.349339
C -6.531370 0.147531 0.276593
C -5.730145 1.584364 2.184398
H 0.037699 -0.510390 -1.993494
H 1.538040 -2.247865 -1.302288
H -0.346862 0.270060 0.967179
H -1.011282 1.133199 -0.431028
H -2.301048 -0.908704 -1.122985
H -1.190767 -2.269383 1.416578
H -2.297566 -2.974841 0.198499
H 2.020026 -2.935905 1.014941
H 0.988054 -1.653529 1.680899
H -2.721154 -0.027967 1.823194
H -3.856720 -1.138492 0.917015
H 0.719252 -4.446263 -1.131407
H -0.987286 -4.736458 -0.687126
H 0.240570 -4.496874 0.599393
H 0.990629 2.000830 -2.447379
H 4.536952 -1.449461 2.132005
H 4.918266 2.813301 -0.719283
H 3.037496 3.407569 -2.257292
H 6.448660 0.128641 2.097732
H 6.730909 0.864569 0.490584
H 5.978900 1.830309 1.803664
H -6.404238 -0.788414 0.869212
H -6.307407 -0.047531 -0.785941
H -7.589413 0.459668 0.347929
H -5.560624 0.702516 2.844359
H -6.726862 2.003579 2.414406
H -4.978291 2.362711 2.397949


