56 
# TS2-3NiP1 (B3LYP) 
Ni -1.1651120 -0.6902080 -0.0311110
O  -2.6135160  0.1596150  0.8814300
O  -4.2542430  1.6514140  0.6271100
C  -1.8707220  0.0432000 -1.6559930
H  -1.1317180  0.6651650 -2.1460770
H  -2.0069580 -0.8675970 -2.2410910
C  -3.1659660  0.7841770 -1.3417990
H  -3.1909620  1.7806750 -1.7839510
H  -4.0316970  0.2522980 -1.7432220
C  -3.3995030  0.9188160  0.1697630
C  -2.3805260 -2.6714550  0.0112690
H  -3.1760420 -2.3807490 -0.6593750
H  -2.6475890 -2.7306620  1.0574460
C  -1.1747410 -3.0728710 -0.4408870
H  -0.4404430 -3.4940090  0.2300160
H  -0.9481820 -3.1256200 -1.4964990
P   0.9360800  0.1024380 -0.0274190
C   1.1919510 -0.0673010  1.8670510
C   2.2963500 -0.8809500 -0.9454480
C   1.1291280  1.9533970 -0.4887800
C   1.3172520  2.1275430 -2.0060100
C  -0.1754180  2.6907590 -0.1329500
H  -0.4442890  2.6239300  0.9131450
H  -0.0453130  3.7475450 -0.3762770
H  -1.0156550  2.3200140 -0.7093780
C   2.3030140  2.6545470  0.2117340
H   2.3701720  3.6772050 -0.1669490
H   2.1644280  2.7210170  1.2863890
H   3.2567260  2.1713690  0.0203040
C   3.6912140 -0.2434120 -0.9769970
H   4.3740230 -0.9195700 -1.4976180
H   3.7090420  0.7019830 -1.5102570
H   4.0921390 -0.0788880  0.0200500
C   1.7925340 -1.0970920 -2.3853550
H   1.7322340 -0.1797540 -2.9600950
H   2.4847240 -1.7649940 -2.9028310
H   0.8083250 -1.5626040 -2.3864350
C   2.4302430 -2.2832100 -0.3325220
H   1.4729640 -2.7935680 -0.2914490
H   3.0909000 -2.8727210 -0.9714840
H   2.8666310 -2.2743080  0.6617510
H   0.5393670  1.6328650 -2.5822440
H   2.2826890  1.7781020 -2.3589580
H   1.2572420  3.1944540 -2.2299200
C   2.6432010 -0.0172120  2.3557350
H   2.6481320 -0.1102540  3.4447550
H   3.2486230 -0.8281920  1.9608000
H   3.1302150  0.9214720  2.1064030
C   0.5593310 -1.4133540  2.2746670
H   0.6499980 -1.5302170  3.3569410
H  -0.5148610 -1.4325620  2.0618090
H   1.0209190 -2.2743040  1.8059780
C   0.3776820  1.0020600  2.6169890
H   0.4058910  0.7562770  3.6808460
H   0.7892400  2.0003130  2.5090640
H  -0.6670510  1.0110410  2.3096830
