gaussian_input_emin 1

Query

import math
import sys

def gen_input():
     """
     This function returns an input file for Gaussian that computes the ground state energy of H2 using Hartree-Fock
     """
     [insert]
     return gauss_input

Output

import math
import sys

def gen_input():
     """
     This function returns an input file for Gaussian that computes the ground state energy of H2 using Hartree-Fock
     """
     gauss_input = """%chk=h2.chk
%mem=1GB
%nprocshared=4
#P HF/6-31G(d)

H2 molecule

0 1
H
H 1 1.0

"""
     return gauss_input

Evaluate

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