SHARC Initial conditions file, version 2.0
Ninit     2
Natom     6
Repr      None
Eref          -94.4129455400
Eharm           0.0000000000

Equilibrium
 C   6.0  -0.02510246   0.05431984  -1.66007993  12.00000000  -0.00037469   0.00030450  -0.00105808
 N   7.0  -0.03946770  -0.11770349   1.49716447  14.00307000   0.00024530  -0.00020858   0.00116946
 H   1.0   2.26398013  -0.07692188  -2.47392189   1.00782000   0.00045189  -0.00007441  -0.00149691
 H   1.0   1.71038790   0.62429289   1.69785085   1.00782000  -0.00311905  -0.00109449  -0.00128237
 H   1.0  -1.46546311   0.36469189   2.42756355   1.00782000  -0.00011608   0.00191907  -0.00018424
 H   1.0  -1.66163210   0.07657812  -2.68733198   1.00782000   0.00383633  -0.00147770  -0.00068708


Index     1
Atoms
 C   6.0   0.02558717   0.02605417  -1.46316390  12.00000000  -0.00008637   0.00009045  -0.00136007
 N   7.0  -0.00707477  -0.07917188   1.28735092  14.00307000  -0.00037120  -0.00029900   0.00124200
 H   1.0   1.92063476  -0.11949150  -2.23734119   1.00782000   0.00239691   0.00022584  -0.00026715
 H   1.0   1.73232097   0.56491312   1.94664426   1.00782000   0.00265932   0.00182931  -0.00153852
 H   1.0  -1.74533791   0.17307538   2.46719380   1.00782000   0.00066535   0.00079722   0.00102842
 H   1.0  -2.11398160   0.17132588  -2.64175684   1.00782000   0.00046448   0.00022520  -0.00028539
States
Ekin        0.062405892998 a.u.
Epot_harm   0.000000000000 a.u.
Epot        0.000000000000 a.u.
Etot_harm   0.062405892998 a.u.
Etot        0.062405892998 a.u.


Index     2
Atoms
 C   6.0   0.03549667   0.00328510  -1.32585130  12.00000000   0.00001620   0.00006156  -0.00159762
 N   7.0  -0.03573116  -0.05145261   1.15446682  14.00307000  -0.00012282  -0.00041267   0.00142743
 H   1.0   1.84775581   0.20250534  -2.24408414   1.00782000  -0.00080261   0.00139519   0.00023972
 H   1.0   1.62963609   0.11737748   1.94845627   1.00782000   0.00103206   0.00076763  -0.00033966
 H   1.0  -1.49330954   0.41512054   2.03988132   1.00782000   0.00017417   0.00339433  -0.00033497
 H   1.0  -1.91027370  -0.05921471  -1.99813217   1.00782000   0.00111006  -0.00055625  -0.00037574
States
Ekin        0.072650560121 a.u.
Epot_harm   0.000000000000 a.u.
Epot        0.000000000000 a.u.
Etot_harm   0.072650560121 a.u.
Etot        0.072650560121 a.u.


