[NH3+][N-][N+]([N-][NH3+])([N-][NH3+])[N-][NH3+]
Thermodynamics
| Enthalpy |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 522.91 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 532.83 | kJ mol-1 |
| Heat Capacity at Constant Pressure |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 135.64 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 168.90 | J mol-1 K-1 |
| Entropy |
| Translational | 170.21 | J mol-1 K-1 |
| Rotational | 122.05 | J mol-1 K-1 |
| Vibrational | 128.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 420.82 | J mol-1 K-1 |
| Other properties |
| Heat of Formation | 1421.46 | kJ mol-1 |
21 20 0 0 0 0 0 0 0 0999 V2000
0.0050 0.0174 0.0163 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3004 0.9100 1.1293 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3911 0.8344 -1.1230 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1798 -0.7766 -0.3181 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0693 -0.8982 0.3768 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3548 -0.1044 -0.7065 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7332 0.1863 -2.3257 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3153 -0.3565 0.7480 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7154 0.3441 2.3504 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8762 -1.1617 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7477 0.1766 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2696 0.2120 1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0216 -0.3394 -2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9631 0.9384 -2.9433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5266 -0.4170 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8476 1.1364 2.9459 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5786 -0.1571 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0309 -0.2604 2.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0036 -0.8443 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7254 0.4885 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2432 0.4385 -1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 1 0
1 5 1 0
6 4 1 0
7 3 1 0
8 5 1 0
9 2 1 0
10 8 1 0
11 8 1 0
12 8 1 0
13 7 1 0
14 7 1 0
15 7 1 0
16 9 1 0
17 9 1 0
18 9 1 0
19 6 1 0
20 6 1 0
21 6 1 0
M CHG 8 1 1 2 -1 3 -1 4 -1 5 -1 6 1 7 1 8 1
M CHG 1 9 1
M END