L0  
Initializes program and controls overlaying 
L1  
Processes route section, builds list of links to execute, and initializes scratch files 
L101  
Reads title and molecule specification 
L102  
FletcherPowell optimizations 
L103  
Berny optimizations to minima and TS, STQN transition state searches 
L105  
MurtaughSargent optimizations 
L106  
Numerical differentiation of forces/dipoles to obtain polarizability/ hyperpolarizability 
L107  
Linearsynchronoustransit (LST) transition state search 
L108  
Unrelaxed potential energy surface scan 
L109  
NewtonRaphson optimization 
L110  
Double numerical differentiation of energies to produce frequencies 
L111  
Double numerical differentiation of energies to compute polarizabilities and hyperpolarizabilities 
L112 

Performs the SelfConsistent Virial Scaling method (SCVS), T. A. Keith's extension of [Lowdin59, Magnoli82, Lehd91] 
L113  
EF optimization using analytic gradients 
L114  
EF numerical optimization (using only energies) 
L115  
Follows reaction path using GS3 algorithm 
L116  
Numerical selfconsistent reaction field (SCRF) 
L117  
Performs IPCM solvation calculations. 
L118  
BOMD calculations 
L120  
Controls ONIOM calculations 
L121  
ADMP calculations 
L122  
Counterpoise calculations 
L123  
Follows reaction path using the HPC algorithm (and others) 
L124  
Performs ONIOM with PCM and externaliteration PCM 
L202  
Reorients coordinates, calculates symmetry, and checks variables 
L301  
Generates basis set information 
L302  
Calculates overlap, kinetic, and potential integrals 
L303  
Calculates multipole integrals 
L308  
Computes dipole velocity and Rx∇integrals 
L310  
Computes spdf 2electron integrals in a primitive fashion 
L311  
Computes sp 2electron integrals 
L314  
Computes spdf 2electron integrals 
L316  
Prints 2electron integrals 
L319  
Computes 1electron integrals for approximate spin orbital coupling 
L401  
Forms the initial MO guess 
L402  
Performs semiempirical and molecular mechanics calculations 
L405  
Initializes an MCSCF calculation 
L502  
Iteratively solves the SCF equations (conven. UHF & ROHF, all direct methods, SCRF) 
L503  
Iteratively solves the SCF equations using direct minimization 
L506  
Performs an ROHF or GVBPP calculation 
L508  
Quadratically convergent SCF program 
L510  
MCSCF 
L601  
Population and related analyses (including multipole moments) 
L602  
1electron properties (potential, field, and field gradient) 
L604  
Evaluates MOs or density over a grid of points 
L607  
Performs NBO analyses 
L608  
Noniterative DFT energies 
L609  
Atoms in Molecules properties 
L610  
Numerical integration (for testing integral codes) 
L701  
1electron integral first or second derivatives 
L702  
2electron integral first or second derivatives (sp) 
L703  
2electron integral first or second derivatives (spdf) 
L716  
Processes information for optimizations and frequencies 
L801  
Initializes transformation of 2electron integrals 
L802  
Performs integral transformation (N^{3} incore) 
L804  
Integral transformation 
L811  
Transforms integral derivatives & computes their contributions to MP2 2^{nd} derivatives 
L901  
Antisymmetrizes 2electron integrals 
L902  
Determines the stability of the HartreeFock wavefunction 
L903  
Old incore MP2 
L904  
Complete basis set (CBS) extrapolation method of Petersson, et. al. 
L905  
Complex MP2 
L906  
Semidirect MP2 
L908  
Electron Propagator Program 
L913  
Calculates postSCF energies and gradient terms 
L914  
CISingles, RPA and ZIndo excited states; SCF stability 
L915  
Computes fifth order quantities (for MP5, QCISD(TQ) and BD(TQ)) 
L916  
Old MP4 and CCSD 
L918  
Reoptimizes the wavefunction 
L923  
SACCI program 
L1002  
Iteratively solves the CPHF equations; computes various properties (including NMR) 
L1003  
Iteratively solves the CPMCSCF equations 
L1014  
Computes analytic CISingles second derivatives 
L1101  
Computes 1electron integral derivatives 
L1102  
Computes dipole derivative integrals 
L1110  
2electron integral derivative contribution to F^{(x)} 
L1111  
2 particle density matrix and postSCF derivatives 
L1112  
MP2 second derivatives 
L9999  
Finalizes calculation and output 