输出文件：
There are 21 symmetry adapted cartesian basis functions of B2 symmetry.
There are 36 symmetry adapted basis functions of A1 symmetry.
There are 8 symmetry adapted basis functions of A2 symmetry.
There are 19 symmetry adapted basis functions of B1 symmetry.
There are 19 symmetry adapted basis functions of B2 symmetry.
82 basis functions, 137 primitive gaussians, 94 cartesian basis functions
14 alpha electrons 13 beta electrons
nuclear repulsion energy 46.9203789025 Hartrees.
NAtoms= 2 NActive= 2 NUniq= 2 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F
Integral buffers will be 131072 words long.
Regular integral format.
Two-electron integral symmetry is turned on.
Unrecognized IEmpD1= 6 in R6Disp.
Error termination via Lnk1e in /home/sunchuanxin/g09/l301.exe at Thu Dec 28 10:49:25 2017.
Job cpu time: 0 days 0 hours 0 minutes 9.2 seconds.
File lengths (MBytes): RWF= 47 Int= 0 D2E= 0 Chk= 2 Scr= 2
"test.log" 204L, 10438C 203,50 Bot
2 7.8511000 124.79066600 0.00000000
2 3.9255500 16.30072600 0.00000000
F - G
2 4.7898200 30.49008900 0.00000000
2 2.3949100 5.17107400 0.00000000
2 7
No pseudopotential on this center.
======================================================================================================
There are 44 symmetry adapted cartesian basis functions of A1 symmetry.
There are 8 symmetry adapted cartesian basis functions of A2 symmetry.
There are 21 symmetry adapted cartesian basis functions of B1 symmetry.
There are 21 symmetry adapted cartesian basis functions of B2 symmetry.
There are 36 symmetry adapted basis functions of A1 symmetry.
[4] Exit 1 g09 test.gjf
[sun@node8 B2GP]$ exit
logout
There are stopped jobs.
[sun@node8 B2GP]$ vi AuN--M2-2.log
There are 32 symmetry adapted cartesian basis functions of A1 symmetry.
There are 5 symmetry adapted cartesian basis functions of A2 symmetry.
There are 14 symmetry adapted cartesian basis functions of B1 symmetry.
There are 14 symmetry adapted cartesian basis functions of B2 symmetry.
There are 27 symmetry adapted basis functions of A1 symmetry.
There are 5 symmetry adapted basis functions of A2 symmetry.
There are 13 symmetry adapted basis functions of B1 symmetry.
There are 13 symmetry adapted basis functions of B2 symmetry.
58 basis functions, 107 primitive gaussians, 65 cartesian basis functions
14 alpha electrons 13 beta electrons
nuclear repulsion energy 46.9203789025 Hartrees.
NAtoms= 2 NActive= 2 NUniq= 2 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F
Integral buffers will be 131072 words long.
Regular integral format.
Two-electron integral symmetry is turned on.
Unrecognized IEmpD1= 6 in R6Disp.
Error termination via Lnk1e in /home/g09/l301.exe at Thu Dec 28 10:41:53 2017.
"AuN--M2-2.log" 209L, 11004C