58 
NDI-chex molec optimized by CAM-B3LYPp2p, SG=2/m
  N        -3.54167897    -0.00016672     0.00000000
  C        -2.88780341    -1.23460192     0.00000000
  C        -2.88367453     1.24008754     0.00000000
  C        -1.40052182    -1.22439466     0.00000000
  C        -1.39791065     1.22721015     0.00000000
  C        -0.70614098    -2.41298229     0.00000000
  C        -0.70452660     0.00069145     0.00000000
  C        -0.70099192     2.41450589     0.00000000
  C         0.70099192    -2.41450589     0.00000000
  C         0.70452660    -0.00069145     0.00000000
  C         0.70614098     2.41298229     0.00000000
  C         1.39791065    -1.22721015     0.00000000
  C         1.40052182     1.22439466     0.00000000
  C         2.88367453    -1.24008754     0.00000000
  C         2.88780341     1.23460192     0.00000000
  N         3.54167897     0.00016672     0.00000000
  O        -3.50505925    -2.28323910     0.00000000
  O        -3.50045846     2.28796271     0.00000000
  O         3.50045846    -2.28796271     0.00000000
  O         3.50505925     2.28323910     0.00000000
  H        -1.26499900    -3.34172336     0.00000000
  H        -1.25761747     3.34456140     0.00000000
  H         1.25761747    -3.34456140     0.00000000
  H         1.26499900     3.34172336     0.00000000
  C        -5.02729835     0.03138905     0.00000000
  H        -5.25938711     1.09669822     0.00000000
  C        -5.62714509    -0.57648222     1.27149100
  H        -5.19459742    -0.08369702     2.14970400
  H        -5.37287319    -1.63782393     1.32899500
  C        -7.14941362    -0.40726365     1.26223700
  H        -7.39884504     0.66132665     1.31399100
  H        -7.57715210    -0.87137665     2.15744300
  C        -7.77113012    -1.00876170     0.00000000
  H        -8.85536817    -0.85118369     0.00000000
  H        -7.60957502    -2.09492386     0.00000000
  C        -7.14941362    -0.40726365    -1.26223700
  H        -7.39884504     0.66132665    -1.31399100
  H        -7.57715210    -0.87137665    -2.15744300
  C        -5.62714509    -0.57648222    -1.27149100
  H        -5.19459742    -0.08369702    -2.14970400
  H        -5.37287319    -1.63782393    -1.32899500
  C         5.02729835    -0.03138905     0.00000000
  H         5.25938711    -1.09669822     0.00000000
  C         5.62714509     0.57648222    -1.27149100
  H         5.19459742     0.08369702    -2.14970400
  H         5.37287319     1.63782393    -1.32899500
  C         7.14941362     0.40726365    -1.26223700
  H         7.39884504    -0.66132665    -1.31399100
  H         7.57715210     0.87137665    -2.15744300
  C         7.77113012     1.00876170     0.00000000
  H         8.85536817     0.85118369     0.00000000
  H         7.60957502     2.09492386     0.00000000
  C         7.14941362     0.40726365     1.26223700
  H         7.39884504    -0.66132665     1.31399100
  H         7.57715210     0.87137665     2.15744300
  C         5.62714509     0.57648222     1.27149100
  H         5.19459742     0.08369702     2.14970400
  H         5.37287319     1.63782393     1.32899500
