Title RR-full ATOMS 1.N 1.439002 9.117121 -0.476861 2.C 1.248220 7.782907 -0.770443 3.C 2.799586 9.323094 -0.428554 4.C 2.534398 7.131534 -0.911264 5.H 2.681335 6.080253 -1.138027 6.C 3.490188 8.083878 -0.699818 7.H 4.569413 7.961720 -0.721808 8.N -1.439002 9.117121 -0.476861 9.C -1.248220 7.782907 -0.770443 10.C -2.799586 9.323094 -0.428554 11.C -3.490188 8.083878 -0.699818 12.H -4.569413 7.961720 -0.721808 13.C -2.534398 7.131534 -0.911264 14.H -2.681335 6.080253 -1.138027 15.N -1.447225 11.964951 0.155918 16.C -2.807453 11.765652 0.112683 17.C -1.248579 13.294272 0.451835 18.C -3.491330 13.009767 0.389897 19.H -4.569898 13.137268 0.419150 20.C -2.526863 13.955392 0.599811 21.H -2.662591 15.007718 0.834192 22.N 1.447225 11.964951 0.155918 23.C 2.807453 11.765652 0.112683 24.C 1.248579 13.294272 0.451835 25.C 2.526863 13.955392 0.599811 26.H 2.662591 15.007718 0.834192 27.C 3.491330 13.009767 0.389897 28.H 4.569898 13.137268 0.419150 29.C 0.000000 7.147642 -0.911894 30.C 3.426434 10.542873 -0.157864 31.C 0.000000 13.907087 0.588079 32.C -3.426434 10.542873 -0.157864 33.H 4.516691 10.537143 -0.156942 34.H 0.000000 14.971273 0.825085 35.H -4.516691 10.537143 -0.156942 36.Zn 0.000000 10.542387 -0.158484 37.N 1.447225 -11.964951 0.155918 38.C 1.248579 -13.294272 0.451835 39.C 2.807453 -11.765652 0.112683 40.C 2.526863 -13.955392 0.599811 41.H 2.662591 -15.007718 0.834192 42.C 3.491330 -13.009767 0.389897 43.H 4.569898 -13.137268 0.419150 44.N -1.447225 -11.964951 0.155918 45.C -1.248579 -13.294272 0.451835 46.C -2.807453 -11.765652 0.112683 47.C -3.491330 -13.009767 0.389897 48.H -4.569898 -13.137268 0.419150 49.C -2.526863 -13.955392 0.599811 50.H -2.662591 -15.007718 0.834192 51.N -1.439002 -9.117121 -0.476861 52.C -2.799586 -9.323094 -0.428554 53.C -1.248220 -7.782907 -0.770443 54.C -3.490188 -8.083878 -0.699818 55.H -4.569413 -7.961720 -0.721808 56.C -2.534398 -7.131534 -0.911264 57.H -2.681335 -6.080253 -1.138027 58.N 1.439002 -9.117121 -0.476861 59.C 2.799586 -9.323094 -0.428554 60.C 1.248220 -7.782907 -0.770443 61.C 2.534398 -7.131534 -0.911264 62.H 2.681335 -6.080253 -1.138027 63.C 3.490188 -8.083878 -0.699818 64.H 4.569413 -7.961720 -0.721808 65.C 0.000000 -13.907087 0.588079 66.C 3.426434 -10.542873 -0.157864 67.C 0.000000 -7.147642 -0.911894 68.C -3.426434 -10.542873 -0.157864 69.H 0.000000 -14.971273 0.825085 70.H 4.516691 -10.537143 -0.156942 71.H -4.516691 -10.537143 -0.156942 72.Zn 0.000000 -10.542387 -0.158484 73.C 0.000000 2.948562 -1.877176 74.C 0.000000 3.900007 -2.893478 75.C 0.000000 5.264143 -2.586498 76.C 0.000000 5.681729 -1.248152 77.C 0.000000 4.728713 -0.220758 78.C 0.000000 3.357478 -0.532114 79.H 0.000000 1.883580 -2.120551 80.H 0.000000 3.576325 -3.934274 81.H 0.000000 6.009323 -3.382886 82.H 0.000000 5.036447 0.821585 83.C 0.000000 -2.948562 -1.877176 84.C 0.000000 -3.900007 -2.893478 85.C 0.000000 -5.264143 -2.586498 86.C 0.000000 -5.681729 -1.248152 87.C 0.000000 -4.728713 -0.220758 88.C 0.000000 -3.357478 -0.532114 89.H 0.000000 -1.883580 -2.120551 90.H 0.000000 -3.576325 -3.934274 91.H 0.000000 -6.009323 -3.382886 92.H 0.000000 -5.036447 0.821585 93.C 0.000000 2.476350 1.817265 94.N 0.000000 2.350778 0.454080 95.O 0.000000 3.540773 2.439844 96.H 0.000000 1.381435 0.138638 97.C 0.000000 -2.476350 1.817265 98.N 0.000000 -2.350778 0.454080 99.O 0.000000 -3.540773 2.439844 100.H 0.000000 -1.381435 0.138638 101.C 0.000000 1.198197 3.949992 102.C 0.000000 0.000000 4.659127 103.C 0.000000 -1.198197 3.949992 104.C 0.000000 -1.152182 2.551422 105.N 0.000000 0.000000 1.851805 106.C 0.000000 1.152182 2.551422 107.H 0.000000 2.173491 4.432748 108.H 0.000000 0.000000 5.749685 109.H 0.000000 -2.173491 4.432748 end CHARGE 0 BASIS TYPE TZP CORE none end XC MODEL SAOP end relativistic scalar ZORA INTEGRATION 4.5 EXCITATIONS ONLYSING CDSPECTRUM ANALYTIC LOWEST 80 END noprint SFO ENDINPUT