   62
scf done: -4990.570301
Cu    -1.306373     0.395380     1.294163
Cu     2.315568    -0.009957     1.416202
 N    -0.128902    -0.279502     2.825296
 O    -1.557254    -0.249139    -1.978740
 O     0.576580    -0.494772    -0.374081
 N    -1.702669     1.921114     0.091461
 N    -2.861244    -0.686636     0.779911
 N     3.316910    -0.986454    -0.042362
 N     2.205020     1.684307     0.359525
 C    -1.296626     3.151325     0.452677
 H    -0.717706     3.215371     1.369496
 C    -1.597464     4.287497    -0.301158
 H    -1.244937     5.259981     0.028205
 C    -2.348629     4.131254    -1.469980
 H    -2.604073     4.990642    -2.084251
 C    -2.764951     2.845130    -1.843060
 H    -3.339623     2.687445    -2.750998
 C    -2.425294     1.755598    -1.039836
 C    -2.792481     0.343644    -1.471965
 H    -3.479487     0.422301    -2.318751
 C    -3.475937    -0.503854    -0.413547
 C    -4.679299    -1.143613    -0.709807
 H    -5.147923    -0.987032    -1.676682
 C    -5.257976    -1.998541     0.238293
 H    -6.195221    -2.504205     0.021850
 C    -4.600290    -2.201897     1.455053
 H    -4.996939    -2.866297     2.216302
 C    -3.401761    -1.523303     1.686618
 H    -2.854204    -1.645163     2.616441
 C    -1.195970    -1.529711    -1.610386
 C    -1.886072    -2.672798    -2.025835
 H    -2.769315    -2.566469    -2.649507
 C    -1.431403    -3.937489    -1.623575
 H    -1.970299    -4.825488    -1.944033
 C    -0.291233    -4.061432    -0.813790
 H     0.053156    -5.043697    -0.501311
 C     0.409542    -2.917752    -0.405409
 H     1.285646    -2.984404     0.232853
 C    -0.049857    -1.663647    -0.807732
 C     4.422832    -1.734656     0.095078
 H     4.787328    -1.878097     1.108405
 C     5.073557    -2.304586    -1.005014
 H     5.964418    -2.905567    -0.850817
 C     4.548492    -2.084801    -2.282968
 H     5.025166    -2.517460    -3.158671
 C     3.388972    -1.305873    -2.419488
 H     2.942699    -1.126076    -3.393078
 C     2.802294    -0.771045    -1.275763
 C     1.525600     0.060716    -1.326545
 H     1.097691     0.040244    -2.331600
 C     1.765618     1.498350    -0.905938
 C     1.545217     2.566900    -1.772817
 H     1.172253     2.384703    -2.775916
 C     1.806998     3.867601    -1.320047
 H     1.644372     4.719537    -1.974837
 C     2.268447     4.052858    -0.011813
 H     2.481061     5.041426     0.382931
 C     2.446042     2.929763     0.801509
 H     2.784806     3.019691     1.829101
 O     0.246093     0.902088     2.385064
 N     1.126093    -0.952918     3.458165
 O     1.744310    -1.510910     2.525733
