#wB97XD GenECP OPT Freq

n-butane

0 1
 C         -1.9450187864        0.1311381687       -0.0000369615
 H         -2.0850326644        0.7646411710       -0.8785269246
 H         -2.0850714946        0.7647636165        0.8783514387
 H         -2.7467014988       -0.6115878318       -0.0000085318
 C         -0.5674541388       -0.5133229831        0.0000348802
 H         -0.4587839655       -1.1739586767        0.8710001386
 H         -0.4587219214       -1.1739876036       -0.8708979147
 C          0.5674367528        0.5132723923        0.0000476488
 H          0.4587557833        1.1738720447        0.8710501234
 H          0.4586595149        1.1739870071       -0.8708544364
 C          1.9450325310       -0.1311026088       -0.0000349579
 H          2.0851508717       -0.7647303900        0.8783747891
 H          2.0851795329       -0.7645021407       -0.8785631301
 H          2.7466092340        0.6116819136       -0.0000519767

@/home/dilabiog/BDE_pcseg1.gbs/N