%chk=000135199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135199

1 1
 S   -4.236900      0.5297000      0.9132000    
 N   -6.707400       1.502200      0.6961000    
 N   -5.329800       1.722100      -1.157900    
 C    1.118300     -0.1109000     -0.2347000    
 C  -1.8700000E-02  -1.123000     -6.9799997E-02
 C    2.507500     -0.7122000      7.7000000E-03
 C   -1.409200     -0.5040000     -0.2548000    
 C    3.644500      0.2953000     -0.1802000    
 C   -2.550900      -1.499100     -8.1000002E-03
 C    5.034800     -0.3027000      6.1700001E-02
 C   -3.950500     -0.8913000     -0.2011000    
 C    6.216100      0.6616000     -8.3800003E-02
 C    7.569100      1.9300001E-02  0.2228000    
 C   -5.035300      -1.936100      5.1700000E-02
 C    8.695400       1.039400      0.1538000    
 C   -5.547000       1.309700      8.3300002E-02
 H   0.9647000      0.7222000      0.4623000    
 H    1.078600      0.3112000      -1.246400    
 H   0.1134000      -1.939100     -0.7905000    
 H   4.3699998E-02  -1.569400      0.9304000    
 H    2.658100      -1.555600     -0.6773000    
 H    2.550200      -1.119000       1.025600    
 H   -1.491600     -0.1025000      -1.272300    
 H   -1.487900      0.3464000      0.4306000    
 H    3.495000       1.138900      0.5046000    
 H    3.603800      0.7025000      -1.197700    
 H   -2.433200      -2.346300     -0.6962000    
 H   -2.458600      -1.910700       1.005700    
 H    5.181400      -1.142100     -0.6300000    
 H    5.056800     -0.7298000       1.072600    
 H   -4.026200     -0.5537000      -1.240200    
 H    6.225900       1.065000      -1.103800    
 H    6.058900       1.512600      0.5906000    
 H    7.765200     -0.7901000     -0.4897000    
 H    7.550700     -0.4263000       1.224100    
 H   -5.007900      -2.311700       1.081000    
 H   -4.897300      -2.795400     -0.6142000    
 H   -6.036500      -1.536600     -0.1436000    
 H    8.543300       1.842300      0.8822000    
 H    8.758500       1.486700     -0.8433000    
 H    9.654500      0.5598000      0.3725000    
 H   -6.837700       1.184100       1.649400    
 H   -7.475300       1.964300      0.2222000    
 H   -4.425200       1.587800      -1.594200    
 H   -6.060400       2.188200      -1.684100    


%chk=000135199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135199

1 1
S -4.309654 0.528166 0.780329
N -6.494233 2.071732 0.990017
N -6.189253 1.164413 -1.153622
C 1.176362 -0.082071 -0.150403
C 0.011602 -1.085038 0.008652
C 2.564074 -0.722313 0.079370
C -1.372488 -0.445473 -0.250751
C 3.728310 0.283711 -0.065417
C -2.528801 -1.451547 -0.054057
C 5.118634 -0.356192 0.149125
C -3.929210 -0.949048 -0.459568
C 6.281778 0.652221 0.012389
C 7.673574 0.012372 0.221070
C -5.032186 -2.010468 -0.361851
C 8.828808 1.028120 0.088970
C -5.788441 1.297401 0.132069
H 1.039643 0.757802 0.562371
H 1.144260 0.362247 -1.167243
H 0.161277 -1.934044 -0.689972
H 0.035272 -1.513456 1.031977
H 2.708689 -1.554804 -0.640287
H 2.597551 -1.176284 1.091745
H -1.400139 -0.045767 -1.285942
H -1.499407 0.424039 0.425848
H 3.591346 1.111607 0.661397
H 3.691231 0.745921 -1.074199
H -2.341656 -2.345609 -0.684482
H -2.552329 -1.818443 0.991499
H 5.260630 -1.179614 -0.581699
H 5.157021 -0.823686 1.155359
H -3.867378 -0.478480 -1.460775
H 6.244454 1.123503 -0.992273
H 6.145041 1.474075 0.746208
H 7.812517 -0.805796 -0.514801
H 7.710239 -0.461711 1.223235
H -5.061882 -2.454616 0.647342
H -4.806666 -2.821612 -1.079463
H -6.038192 -1.624105 -0.601331
H 8.729573 1.840465 0.833522
H 8.836765 1.492882 -0.915077
H 9.811140 0.546202 0.244814
H -6.256497 2.086269 1.983386
H -7.245585 2.691700 0.679398
H -5.605802 0.680988 -1.835781
H -7.075096 1.548044 -1.490898


