56 
# 4NiP1 (B3LYP) 
Ni  1.1223700  0.4968170 -0.2712120
O   1.9216420 -1.2492530 -0.4418160
O   3.7943600 -2.2675540  0.2255740
C   3.3496840  1.2368210 -0.6978140
H   2.7268950  0.8076020 -1.5055750
H   4.2356060  1.5664150 -1.2383950
C   3.7557270  0.1274390  0.3012330
H   4.8359940  0.0138800  0.3434280
H   3.4383390  0.3953580  1.3146070
C   3.1468170 -1.2603750  0.0062160
C   1.2124900  2.2897450  0.3391190
H   1.1339770  2.2139970  1.4260830
H   0.5497790  3.0778030  0.0010440
C   2.6575630  2.5095030 -0.1261750
H   2.6677820  3.2585150 -0.9191600
H   3.2811930  2.8909240  0.6868200
P  -0.9762670 -0.0317000 -0.0073120
C  -1.5619840 -1.0856410 -1.4969220
C  -2.1997840  1.4343760  0.1777000
C  -1.0146480 -1.0986760  1.5814010
C  -2.4064700 -1.2951360  2.1975830
H  -3.1082230 -1.7485030  1.5025370
H  -2.3071200 -1.9717940  3.0490550
H  -2.8402650 -0.3717650  2.5711710
C  -0.0905390 -0.4267140  2.6147480
H  -0.1080870 -1.0224190  3.5296960
H   0.9366910 -0.4016540  2.2555420
H  -0.3874790  0.5849050  2.8708790
C  -0.4088060 -2.4860250  1.3060500
H   0.5636450 -2.4201110  0.8253010
H  -0.2793340 -2.9848270  2.2688300
H  -1.0606160 -3.1139110  0.7057290
C  -1.9424910  2.4656040 -0.9454290
H  -0.8976350  2.5212300 -1.2305010
H  -2.5229280  2.2476380 -1.8351160
H  -2.2478280  3.4520650 -0.5928300
C  -1.9514940  2.1349180  1.5252830
H  -2.2199930  1.5131420  2.3735500
H  -0.9228650  2.4563990  1.6425940
H  -2.5836420  3.0239930  1.5636680
C  -3.6878970  1.0527210  0.1234240
H  -3.9784650  0.6558390 -0.8443950
H  -3.9736220  0.3383890  0.8889730
H  -4.2740120  1.9603730  0.2861090
C  -2.8002270 -1.9452900 -1.1978260
H  -3.6474500 -1.3709050 -0.8371710
H  -3.1053870 -2.4326750 -2.1266320
H  -2.5895460 -2.7311810 -0.4787930
C  -0.4314860 -2.0120180 -1.9754790
H  -0.8202950 -2.5966360 -2.8123830
H   0.4302580 -1.4489980 -2.3209890
H  -0.0750090 -2.6971200 -1.2181560
C  -1.8766410 -0.1610340 -2.6838470
H  -1.9926480 -0.7839880 -3.5723840
H  -2.7999820  0.3950250 -2.5571720
H  -1.0669810  0.5407630 -2.8779850
