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	hartrees
Energy at 0K	-206.052080
Energy at 298.15K	-206.062354
HF Energy	-205.317599
Nuclear repulsion energy	138.064054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3433	0.00
2	A	3519	3333	5.18
3	A	3118	2953	33.15
4	A	1720	1629	72.25
5	A	1406	1331	1.45
6	A	981	929	17.28
7	A	903	855	0.10
8	A	569	538	22.89
9	A	326	309	74.54
10	E	3625	3433	0.55
10	E	3625	3433	0.55
11	E	3523	3337	0.07
11	E	3523	3337	0.07
12	E	1731	1640	35.08
12	E	1731	1640	35.08
13	E	1452	1375	25.87
13	E	1452	1375	25.87
14	E	1265	1198	58.04
14	E	1265	1198	58.04
15	E	1083	1026	49.73
15	E	1083	1026	49.73
16	E	952	902	254.01
16	E	952	902	254.01
17	E	452	428	43.20
17	E	452	428	43.20
18	E	295	279	24.55
18	E	295	279	24.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.462
N3	0.000	1.393	-0.054
N4	1.206	-0.696	-0.054
N5	-1.206	-0.696	-0.054
H6	0.877	1.819	0.227
H7	1.137	-1.669	0.227
H8	-2.014	-0.151	0.227
H9	-0.048	1.435	-1.068
H10	1.267	-0.676	-1.068
H11	-1.219	-0.759	-1.068

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0943	1.4553	1.4553	1.4553	2.0243	2.0243	2.0243	2.0307	2.0307	2.0307
H2	1.0943		2.0590	2.0590	2.0590	2.3673	2.3673	2.3673	2.9092	2.9092	2.9092
N3	1.4553	2.0590		2.4123	2.4123	1.0145	3.2779	2.5526	1.0156	2.6294	2.6728
N4	1.4553	2.0590	2.4123		2.4123	2.5526	1.0145	3.2779	2.6728	1.0156	2.6294
N5	1.4553	2.0590	2.4123	2.4123		3.2779	2.5526	1.0145	2.6294	2.6728	1.0156
H6	2.0243	2.3673	1.0145	2.5526	3.2779		3.4976	3.4976	1.6363	2.8383	3.5658
H7	2.0243	2.3673	3.2779	1.0145	2.5526	3.4976		3.4976	3.5658	1.6363	2.8383
H8	2.0243	2.3673	2.5526	3.2779	1.0145	3.4976	3.4976		2.8383	3.5658	1.6363
H9	2.0307	2.9092	1.0156	2.6728	2.6294	1.6363	3.5658	2.8383		2.4875	2.4875
H10	2.0307	2.9092	2.6294	1.0156	2.6728	2.8383	1.6363	3.5658	2.4875		2.4875
H11	2.0307	2.9092	2.6728	2.6294	1.0156	3.5658	2.8383	1.6363	2.4875	2.4875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.779	C1	N3	H9	109.246
C1	N4	H7	108.779	C1	N4	H10	109.246
C1	N5	H8	108.779	C1	N5	H11	109.246
H2	C1	N3	106.863	H2	C1	N4	106.863
H2	C1	N5	106.863	N3	C1	N4	111.949
N3	C1	N5	111.949	N4	C1	N5	111.949
H6	N3	H9	107.425	H7	N4	H10	107.425
H8	N5	H11	107.425

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2=FULL/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)