%chk=000113684.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113684

1 1
 S  -0.7695000      3.1500001E-02  -1.177300    
 N    1.331000      -1.251200     -4.4399999E-02
 N    1.348800       1.216900      2.7400000E-02
 N   -4.227900      3.9500002E-02  0.9394000    
 C   0.8103000     -5.4000001E-03 -0.3003000    
 C   -1.886700      1.0000000E-03  0.2465000    
 C   0.6752000      -2.517000     -0.4379000    
 C    2.656800      -1.442300      0.6096000    
 C   -3.336900      6.4199999E-02 -0.2166000    
 C    1.108400       2.436700     -0.7953000    
 C    2.290500       1.426200       1.148700    
 H   -1.707700     -0.9090000      0.8281000    
 H   -1.653400      0.8581000      0.8883000    
 H   -3.527500      0.9809000     -0.7859000    
 H   -3.579300     -0.7867000     -0.8630000    
 H    1.239000      -3.383600     -7.8900002E-02
 H   0.6180000      -2.575200      -1.528700    
 H  -0.3211000      -2.578200      6.6000000E-03
 H    2.550500      -1.329500       1.690100    
 H    3.381900     -0.7449000      0.1872000    
 H    3.043200      -2.446200      0.4058000    
 H   0.1729000       2.904100     -0.4764000    
 H    1.068400       2.170400      -1.855400    
 H    1.931300       3.145900     -0.6611000    
 H    2.057800      0.7456000       1.969600    
 H    2.165200       2.441700       1.540100    
 H    3.318900       1.314200      0.7995000    
 H   -4.009200      0.8205000       1.557100    
 H   -4.057600     -0.8047000       1.485000    


%chk=000113684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113684

1 1
S -0.720399 -0.378175 -1.165743
N 1.599757 -1.383457 -0.155992
N 1.239296 0.918556 0.311784
N -4.236434 0.771144 0.751951
C 0.829750 -0.261673 -0.239852
C -1.964700 0.656253 -0.091398
C 1.051816 -2.757220 -0.305200
C 3.086640 -1.317446 -0.114165
C -3.338398 -0.065464 -0.030149
C 0.849292 2.239537 -0.241427
C 2.049512 0.977199 1.558254
H -1.523798 0.752325 0.914195
H -2.064817 1.646072 -0.562655
H -3.726175 -0.224796 -1.054172
H -3.216391 -1.065122 0.426416
H 1.592601 -3.425125 0.386369
H 1.190772 -3.123459 -1.338124
H -0.020011 -2.774717 -0.062761
H 3.479814 -1.574997 0.884858
H 3.433561 -0.313909 -0.400784
H 3.482266 -2.044692 -0.843459
H 0.084355 2.727253 0.388600
H 0.464366 2.126535 -1.265764
H 1.743527 2.886379 -0.269389
H 2.033408 0.003837 2.070546
H 1.598815 1.731998 2.225833
H 3.094915 1.271181 1.357449
H -4.934986 1.331469 0.269826
H -4.467053 0.494011 1.702753


