然后又使用GENNBO5.0进行计算，任务报错，输出如下
*********************************** NBO 5.G ***********************************
N A T U R A L A T O M I C O R B I T A L A N D
N A T U R A L B O N D O R B I T A L A N A L Y S I S
*******************************************************************************
(c) Copyright 1996-2008 Board of Regents of the University of Wisconsin System
on behalf of the Theoretical Chemistry Institute. All Rights Reserved.
Cite this program as:
NBO 5.G. E. D. Glendening, J. K. Badenhoop, A. E. Reed,
J. E. Carpenter, J. A. Bohmann, C. M. Morales, and F. Weinhold
(Theoretical Chemistry Institute, University of Wisconsin,
Madison, WI, 2004); http://www.chem.wisc.edu/~nbo5
/PLOT / : Write information for the orbital plotter
/FILE / : Set to /home/qchem4/NBO5/HBT_C_SO2
Job title: Generated by Multiwfn
Storage needed: 10795891 in NPA, 8647727 in NBO,
12842558 in NLMO ( 10000000 available)