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	hartrees
Energy at 0K	-203.534256
Energy at 298.15K	-203.543939
HF Energy	-203.464257
Nuclear repulsion energy	133.270873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3725	3725	24.88
2	A	3534	3534	13.63
3	A	3408	3408	1.43
4	A	1882	1882	12.34
5	A	1525	1525	0.03
6	A	1113	1113	0.47
7	A	895	895	2.79
8	A	517	517	16.21
9	A	252	252	105.60
10	E	3723	3723	2.89
10	E	3723	3723	2.89
11	E	3542	3542	12.02
11	E	3542	3542	12.02
12	E	1887	1887	2.95
12	E	1887	1887	2.95
13	E	1531	1531	24.78
13	E	1531	1531	24.77
14	E	1319	1319	40.06
14	E	1319	1319	40.06
15	E	1196	1196	10.87
15	E	1196	1196	10.87
16	E	1009	1009	105.93
16	E	1009	1009	105.94
17	E	405	405	25.27
17	E	405	405	25.27
18	E	258	258	16.66
18	E	258	258	16.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.381
H2	0.000	0.000	1.491
N3	0.000	1.448	-0.074
N4	1.254	-0.724	-0.074
N5	-1.254	-0.724	-0.074
H6	0.875	1.854	0.360
H7	1.168	-1.685	0.360
H8	-2.043	-0.169	0.360
H9	0.270	1.405	-1.099
H10	1.082	-0.936	-1.099
H11	-1.352	-0.469	-1.099

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1105	1.5182	1.5182	1.5182	2.0504	2.0504	2.0504	2.0582	2.0582	2.0582
H2	1.1105		2.1328	2.1328	2.1328	2.3416	2.3416	2.3416	2.9589	2.9589	2.9589
N3	1.5182	2.1328		2.5086	2.5086	1.0581	3.3722	2.6420	1.0602	2.8120	2.5598
N4	1.5182	2.1328	2.5086		2.5086	2.6420	1.0581	3.3722	2.5598	1.0602	2.8120
N5	1.5182	2.1328	2.5086	2.5086		3.3722	2.6420	1.0581	2.8120	2.5598	1.0602
H6	2.0504	2.3416	1.0581	2.6420	3.3722		3.5513	3.5513	1.6419	3.1557	3.5334
H7	2.0504	2.3416	3.3722	1.0581	2.6420	3.5513		3.5513	3.5334	1.6419	3.1557
H8	2.0504	2.3416	2.6420	3.3722	1.0581	3.5513	3.5513		3.1557	3.5334	1.6419
H9	2.0582	2.9589	1.0602	2.5598	2.8120	1.6419	3.5334	3.1557		2.4785	2.4785
H10	2.0582	2.9589	2.8120	1.0602	2.5598	3.1557	1.6419	3.5334	2.4785		2.4785
H11	2.0582	2.9589	2.5598	2.8120	1.0602	3.5334	3.1557	1.6419	2.4785	2.4785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	104.051	C1	N3	H9	104.528
C1	N4	H7	104.051	C1	N4	H10	104.528
C1	N5	H8	104.051	C1	N5	H11	104.528
H2	C1	N3	107.444	H2	C1	N4	107.444
H2	C1	N5	107.444	N3	C1	N4	111.420
N3	C1	N5	111.420	N4	C1	N5	111.420
H6	N3	H9	101.637	H7	N4	H10	101.637
H8	N5	H11	101.637

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP/STO-3G

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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Number	Element	Mulliken
1	C	0.143
2	H	0.077
3	N	-0.368
4	N	-0.368
5	N	-0.368
6	H	0.156
7	H	0.156
8	H	0.156
9	H	0.138
10	H	0.138
11	H	0.138

<r²>	85.197
(<r²>)^1/2	9.230

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)