%nproc=12
%mem=21000MB
#p opt freq b97d scrf=(solvent=benzene,SMD) gen  
scfcyc=300  

TS3_insertion  Energy= -939.494458133

0 1
 C	 1.066660	 -0.901965	 -0.000005
 C	 -0.247935	 -1.374604	 -0.000069
 C	 -1.314498	 -0.472745	 0.000056
 C	 -1.066584	 0.902054	 -0.000008
 C	 0.247819	 1.374621	 -0.000062
 C	 1.314538	 0.472640	 0.000057
 H	 1.896288	 -1.603803	 0.000067
 H	 -0.440616	 -2.444082	 -0.000078
 H	 -2.337087	 -0.840385	 0.000154
 H	 -1.896384	 1.603680	 -0.000007
 H	 0.440747	 2.444049	 -0.000019
 H	 2.337044	 0.840534	 0.000064

-C -N -O -H 
6-31g(d)
*****
 
 


