%chk=000006008.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006008

0 1
 S    1.085900      0.6438000     -9.1499999E-02
 O   0.1458000      -1.767500      0.3125000    
 N    5.021900     -0.3208000      0.2025000    
 N   -1.503400     -0.1361000     -1.1300000E-02
 C    3.827400      0.4959000     -9.8999999E-03
 C    5.052000      -1.437600     -0.7411000    
 C    6.228800      0.4943000      6.8400003E-02
 C    2.578300     -0.3579000      0.1699000    
 C    6.255200      -2.332100     -0.4949000    
 C    6.214600       1.660500       1.042100    
 C  -0.1729000     -0.5946000      0.1296000    
 C   -1.846300       1.255300     -0.1181000    
 C   -2.596200      -1.080700      5.8100000E-02
 C   -2.005400       1.981800       1.037800    
 C   -3.771300     -0.6688000      0.6300000    
 C   -1.999500       1.798800      -1.371200    
 C   -2.398800      -2.336900     -0.4521000    
 C   -2.337900       3.332500      0.9346000    
 C   -4.825600      -1.579500      0.6968000    
 C   -2.331900       3.149600      -1.474500    
 C   -3.453200      -3.247600     -0.3853000    
 C   -2.501000       3.916400     -0.3215000    
 C   -4.666700      -2.868800      0.1891000    
 H    3.766200       1.298900      0.7324000    
 H    3.840200      0.9578000      -1.006400    
 H    4.198000      -2.104700     -0.6010000    
 H    5.045400      -1.098500      -1.784500    
 H    7.118900     -9.0899996E-02  0.3213000    
 H    6.358900      0.8705000     -0.9542000    
 H    2.547200     -0.8016000       1.171000    
 H    2.505400      -1.150800     -0.5763000    
 H    7.189300      -1.883000     -0.8462000    
 H    6.360300      -2.590200      0.5646000    
 H    6.134900      -3.270600      -1.048200    
 H    5.541100       2.463200      0.7258000    
 H    5.944700       1.343400       2.055200    
 H    7.216300       2.102100       1.097000    
 H   -1.873000       1.535800       2.019000    
 H   -3.948500      0.3116000       1.051900    
 H   -1.868900       1.205900      -2.271400    
 H   -1.502300      -2.652000     -0.9729000    
 H   -2.467900       3.929900       1.832200    
 H   -5.770100      -1.286200       1.145800    
 H   -2.458800       3.604400      -2.452600    
 H   -3.336000      -4.246400     -0.7957000    
 H   -2.759300       4.968200     -0.4020000    
 H   -5.488700      -3.576800      0.2379000    


%chk=000006008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006008

0 1
S 1.064134 1.324348 0.951449
O 0.735057 -1.344471 0.365311
N 4.747661 -0.288690 -0.205382
N -1.232368 -0.033488 0.244466
C 3.476333 0.464574 -0.323494
C 4.560140 -1.757393 -0.362843
C 5.862001 0.267210 -1.014133
C 2.784781 0.534160 1.051932
C 5.607582 -2.583914 0.407445
C 6.437393 1.569731 -0.425317
C 0.135292 -0.242784 0.463568
C -1.757470 1.319319 0.406877
C -2.164778 -1.079308 -0.134914
C -2.237776 1.736495 1.668474
C -3.531209 -0.730625 -0.330923
C -1.801993 2.189140 -0.705770
C -1.769833 -2.434697 -0.318403
C -2.756652 3.041588 1.819486
C -4.474494 -1.711078 -0.700535
C -2.321905 3.493070 -0.550209
C -2.728935 -3.401910 -0.688426
C -2.798519 3.920539 0.711617
C -4.084383 -3.056220 -0.883322
H 3.684841 1.489669 -0.678660
H 2.781705 -0.000193 -1.060202
H 3.552750 -2.009192 0.017051
H 4.568301 -2.049002 -1.443478
H 6.666419 -0.490412 -1.040168
H 5.553374 0.436955 -2.077182
H 3.354584 1.155363 1.761476
H 2.640705 -0.473485 1.472698
H 6.635331 -2.384907 0.052047
H 5.567239 -2.339168 1.483207
H 5.413587 -3.665673 0.281392
H 5.677049 2.370850 -0.378939
H 6.805815 1.391495 0.599948
H 7.275060 1.939356 -1.046228
H -2.196977 1.043558 2.515049
H -3.862544 0.301869 -0.196629
H -1.428039 1.842282 -1.674475
H -0.729183 -2.721734 -0.172350
H -3.123652 3.371130 2.797348
H -5.519598 -1.414954 -0.844692
H -2.352372 4.172676 -1.408580
H -2.403017 -4.439493 -0.823809
H -3.199096 4.933233 0.831039
H -4.819237 -3.815820 -1.170116


