E=-698.493187389 Eh
H=-698.330380 Eh
G=-698.383329 Eh
21
0 1
C        -0.005770    1.224865   -0.325828
C        -1.385749    1.174404   -0.281044
C        -2.004636   -0.047583   -0.029792
C        -1.281469   -1.211804    0.178818
C         0.105016   -1.152244    0.142769
C         0.758998    0.064779   -0.101711
C         2.212556    0.046658   -0.300727
N         2.623172    1.481389    1.012644
N         3.061770    1.547662   -0.044945
H        -1.993833    2.055398   -0.442867
H         0.488918    2.168111   -0.528724
H         0.693476   -2.047244    0.303983
H        -1.807078   -2.138525    0.372430
O         2.868517   -0.988636    0.186413
C         4.147748   -1.220283   -0.416629
H         4.054904   -1.221901   -1.503986
H         4.846545   -0.439008   -0.105370
H         4.486742   -2.188819   -0.053297
N        -3.468604   -0.104693    0.010791
O        -4.078298    0.935063   -0.166566
O        -3.985743   -1.187837    0.219310