File: dvb_ir.com

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cclib-data 1.6.2-2
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 ***, divinylbenzene normal mode analysis
basis=sto-3g
geometry={angstrom;
C,,     1.4163719978,        0.2355121874,        0.0000000000
C,,     0.4890015094,        1.3144209166,        0.0000000000
C,,    -0.8947801234,        1.0867269771,        0.0000000000
C,,    -1.4163720294,       -0.2355123705,        0.0000000000
C,,    -0.4890015794,       -1.3144210102,        0.0000000000
C,,     0.8947802299,       -1.0867270423,        0.0000000000
C,,     2.8841366364,        0.5340603619,        0.0000000000
C,,    -2.8841366816,       -0.5340602541,        0.0000000000
H,,     1.5818369242,       -1.9427803982,        0.0000000000
H,,    -1.5818369485,        1.9427802557,        0.0000000000
H,,     0.8701448970,        2.3449968145,        0.0000000000
H,,    -0.8701450118,       -2.3449968779,        0.0000000000
C,,     3.8854284299,       -0.3632773132,        0.0000000000
C,,    -3.8854283949,        0.3632775240,        0.0000000000
H,,     3.1308836661,        1.6066979605,        0.0000000000
H,,    -3.1308838129,       -1.6066978140,        0.0000000000
H,,    -4.9342673261,        0.0437742937,        0.0000000000
H,,     4.9342673873,       -0.0437741237,        0.0000000000
H,,    -3.7106041810,        1.4455140984,        0.0000000000
H,,     3.7106044660,       -1.4455139314,        0.0000000000
}
ks,b3lyp;
{freq;print,hessian}