%chk=000085603.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085603

0 1
 S   -1.249400      0.3189000       1.490200    
 S    1.225800      -1.399100       1.148000    
 N   -1.948000      0.6857000      3.0500000E-02
 N    1.062500       1.050700      0.3582000    
 C   -4.064900      -1.469800     -0.2235000    
 C   -4.860100     -0.2092000     -0.5496000    
 C   -2.684100      -1.566800     -0.8725000    
 C   -4.447900      0.9925000      0.3024000    
 C   -1.919600     -0.2584000      -1.087700    
 C   -3.089800       1.600400     -5.2099999E-02
 C   0.4142000      8.1699997E-02  0.9413000    
 C    2.613000     -0.7171000      0.3842000    
 C    2.335000      0.6065000      2.9500000E-02
 C    3.857500      -1.310500      0.1181000    
 C    3.340000       1.360600     -0.6144000    
 C    4.834500     -0.5422000     -0.5201000    
 C    4.581200      0.7762000     -0.8825000    
 H   -3.962100      -1.565700      0.8647000    
 H   -4.645000      -2.345500     -0.5414000    
 H   -4.800900      2.8400000E-02  -1.617900    
 H   -5.916400     -0.4154000     -0.3351000    
 H   -2.073200      -2.256800     -0.2766000    
 H   -2.796700      -2.046700      -1.853600    
 H   -5.206800       1.775300      0.1768000    
 H   -4.469200      0.7185000       1.364600    
 H  -0.8842000     -0.5065000      -1.352800    
 H   -2.302900      0.2252000      -1.996700    
 H   -3.143000       2.038500      -1.057700    
 H   -2.914000       2.460100      0.6089000    
 H    4.062300      -2.339300      0.3981000    
 H    3.152900       2.391300     -0.9020000    
 H    5.804600     -0.9825000     -0.7354000    
 H    5.353300       1.358300      -1.378200    


%chk=000085603-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085603

0 1
S -0.946829 -1.686107 1.554095
S 2.210761 -1.469149 1.862120
N -2.202394 -0.874160 0.559350
N 0.799784 -0.167091 -0.053174
C -4.801903 -0.753539 -0.885847
C -4.466568 0.753104 -0.731758
C -3.637454 -1.655913 -1.376176
C -3.787853 1.087965 0.621219
C -2.226100 -1.253567 -0.888183
C -2.336269 0.595194 0.804403
C 0.640532 -0.987100 0.957623
C 3.081333 -0.407222 0.671190
C 2.153989 0.185833 -0.248677
C 4.462598 -0.146281 0.594403
C 2.629743 1.052684 -1.259908
C 4.920420 0.723638 -0.422248
C 4.012166 1.315709 -1.339718
H -5.153707 -1.122448 0.096923
H -5.651161 -0.876481 -1.586758
H -3.839335 1.102613 -1.577773
H -5.409096 1.332728 -0.787548
H -3.845866 -2.698377 -1.067835
H -3.601408 -1.651664 -2.485228
H -3.767581 2.188629 0.760856
H -4.411430 0.668988 1.435193
H -1.532705 -2.096384 -1.051722
H -1.832957 -0.402124 -1.482051
H -1.648900 1.150737 0.129493
H -2.022021 0.798040 1.843181
H 5.168414 -0.597986 1.297958
H 1.917706 1.500529 -1.959479
H 5.991020 0.941276 -0.499313
H 4.391668 1.985225 -2.118910


