%chk=000131460.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131460

0 1
 S   0.3903000     -0.8881000      -1.208800    
 S   -1.865000      -3.569400      0.9125000    
 N   -3.166000       2.227400      0.7736000    
 N   -2.820100      -2.193800      0.8079000    
 N  -0.5049000      -3.056400      7.4400000E-02
 C   -3.180100       2.737800     -0.6022000    
 C   -2.290400       1.042700      0.8767000    
 C   -3.775100       1.690000      -1.550600    
 C   -2.571500     -7.7000000E-03 -0.1804000    
 C   -3.272600      0.3013000      -1.286200    
 C    4.165000     -8.5600004E-02  0.2987000    
 C    2.975400     -0.1089000     -0.6661000    
 C    5.361200      0.6468000     -0.3134000    
 C   -2.076100      -1.328000      0.1158000    
 C   -2.739800       3.265000       1.711300    
 C    1.798900     -0.8713000     -6.3100003E-02
 C    6.586600      0.6778000      0.6024000    
 C  -0.8162000      -1.821800     -0.2736000    
 C    7.800300       1.342200     -2.8800000E-02
 H   -3.790800       3.646500     -0.6695000    
 H   -2.165800       3.005200     -0.9286000    
 H   -1.234100       1.336300      0.8034000    
 H   -2.440100      0.6022000       1.871100    
 H   -4.867900       1.682100      -1.457100    
 H   -3.539900       1.969500      -2.583900    
 H   -3.499200     -0.4612000      -2.026500    
 H    3.873300      0.4063000       1.234400    
 H    4.455900      -1.112900      0.5494000    
 H    3.283900     -0.5799000      -1.608000    
 H    2.679100      0.9222000     -0.8966000    
 H    5.071300       1.675700     -0.5598000    
 H    5.635000      0.1607000      -1.258200    
 H   -1.727600       3.626900       1.497400    
 H   -2.761300       2.886600       2.739300    
 H   -3.425300       4.118900       1.676500    
 H    2.096800      -1.902300      0.1558000    
 H    1.484500     -0.4016000      0.8752000    
 H    6.333100       1.205700       1.529300    
 H    6.855100     -0.3473000      0.8841000    
 H    8.643000       1.337400      0.6694000    
 H    8.106500      0.8136000     -0.9370000    
 H    7.582000       2.381600     -0.2935000    


%chk=000131460-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131460

0 1
S 0.864582 0.402182 -0.005382
S -1.275770 -2.357804 2.497473
N -4.789579 1.826853 0.060364
N -2.444681 -1.192473 1.821333
N 0.141479 -1.641881 1.643536
C -4.063450 2.994295 -0.481857
C -3.939526 0.991783 0.932612
C -2.935114 2.507690 -1.410250
C -2.566999 0.716343 0.331034
C -2.131489 1.399092 -0.770829
C 5.008761 -0.444997 0.078987
C 3.655912 0.238944 -0.238286
C 6.203944 0.246930 -0.615353
C -1.782527 -0.340441 1.000890
C -6.061990 2.177907 0.714227
C 2.489911 -0.478178 0.458081
C 7.557986 -0.436537 -0.316278
C -0.322145 -0.606106 0.925513
C 8.747969 0.257661 -1.013347
H -4.776584 3.622278 -1.046442
H -3.628814 3.631401 0.332579
H -3.789899 1.456684 1.944948
H -4.447255 0.027656 1.115981
H -3.371415 2.141137 -2.361763
H -2.264130 3.350201 -1.673812
H -1.175014 1.145989 -1.243394
H 5.173515 -0.448949 1.176201
H 4.967235 -1.508041 -0.236172
H 3.496941 0.241102 -1.335082
H 3.695845 1.298428 0.083859
H 6.251890 1.308835 -0.295868
H 6.035342 0.258513 -1.712445
H -5.933775 2.822054 1.621822
H -6.585201 1.255950 1.025984
H -6.711904 2.715242 0.000659
H 2.389053 -1.528395 0.140539
H 2.568892 -0.450717 1.556890
H 7.725855 -0.448994 0.780027
H 7.508430 -1.497628 -0.635339
H 9.703143 -0.249762 -0.784861
H 8.619246 0.256750 -2.112279
H 8.838730 1.311204 -0.687797


