|
PULAY PM7 As4O6 H=-254 HR=PW91D O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 As 1.79363216 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.79307963 +1 98.5271347 +1 0.0000000 +0 2 1 0 As 1.79311096 +1 128.4882611 +1 -49.9761933 +1 3 2 1 O 1.79339259 +1 98.4891166 +1 -50.0289363 +1 4 3 2 As 1.79349870 +1 128.4917712 +1 50.0829569 +1 5 4 3 O 1.79330082 +1 98.5048357 +1 49.9074524 +1 6 5 4 As 1.79331397 +1 128.5430215 +1 -50.0093835 +1 7 6 5 O 1.79374876 +1 98.4592289 +1 -100.0037196 +1 2 1 3 O 1.79385295 +1 98.5071036 +1 100.0117102 +1 4 3 5