%mem=7700MB %nproc=4 %nosave %chk=pyrRdFreq.chk #P b3lyp/lanl2dz Opt Pop=Regular nosymm Density=Current geom=PrintInputOrien Freq=Raman CPHF=RdFreq pyr 0 1 N 0 -0.01057900 -0.00063900 -2.28646300 C 0 -1.17676700 -0.00590200 -2.99007400 C 0 1.16741700 0.00509200 -2.97902000 C 0 -1.20903000 -0.00586700 -4.40557400 H 0 -2.09264300 -0.01032000 -2.40450900 C 0 1.21421300 0.00563000 -4.39704500 H 0 2.07779200 0.00903900 -2.38360500 C 0 0.00585100 0.00014800 -5.11502500 H 0 -2.16179300 -0.01018900 -4.92454400 H 0 2.17150600 0.01019200 -4.90795000 H 0 0.01008200 0.00016100 -6.20135200 295nm 325nm 370nm 514nm 630nm 785nm