1. %NProcShared=2
#n B3LYP/6-31G(d) SP gfoldprint pop=full
Title
0 1
C -10.08360 1.12020 1.52050
C -10.11730 2.51290 1.52250
C -8.92520 3.22760 1.51840
C -7.70480 2.54510 1.51220
C -7.64190 1.15790 1.51000
C -6.44140 0.55230 1.50400
C -6.38430 -0.79110 1.50190
C -5.14630 -1.42020 1.49570
C -5.02740 -2.81340 1.49320
C -6.16990 -3.60500 1.49710
C -7.42490 -3.00030 1.50330
C -7.53800 -1.59820 1.50570
C -8.78190 -0.95790 1.51200
C -8.85270 0.43930 1.51420
H -11.06940 3.03720 1.52740
H -8.93750 4.31440 1.52000
H -6.08460 -4.68860 1.49520
O -8.54050 -3.78520 1.50700
O -9.96670 -1.72240 1.51600
O -7.29920 2.73430 2.80070
O -10.53130 0.92930 2.79470
O -6.01160 0.76490 2.83000
H -6.45120 2.30510 2.93600
H -10.57530 -0.01130 2.98130
H -9.32330 -3.22950 1.51110
C -1.52060 -4.47500 3.36640
C -2.47870 -5.32530 2.79030
C -3.62180 -4.78370 2.17980
C -3.80670 -3.39180 2.14530
C -2.84870 -2.54150 2.72140
C -1.70560 -3.08310 3.33200
N -3.86040 -0.65160 1.49570
H -2.73950 -2.25780 0.59210
C -2.69110 -1.63200 1.48320
C -0.40240 -0.28260 1.49390
C -1.44640 -0.89810 1.48900
C 0.84230 0.45130 1.49970
C 2.01030 -0.52860 1.56420
H 2.97410 0.03960 1.56870
H 1.03050 1.51430 1.46690

2. H -3.81890 -0.06390 0.67540
C -0.68240 -2.17500 3.94730
H -1.00390 -1.11090 3.82050
H -0.58450 -2.40780 5.03730
H 0.30440 -2.32910 3.44290
C -0.28200 -5.06190 4.02810
O 0.52300 -4.01790 4.52840
O 0.44940 -5.80620 3.07980
H -0.09830 -6.51710 2.73890
O -2.29900 -6.67700 2.82380
C -1.10290 -7.00880 2.15500
H -0.24090 -6.50530 2.66040
H -0.95540 -8.11760 2.18250
H -1.16310 -6.66680 1.09140
C 1.93960 -2.09880 -0.50690
C 1.97220 -1.37410 0.44900
O -3.41100 -3.47440 3.61680