# sp b3lyp/def2tzvpp empiricaldispersion=gd3bj scf=(tight,maxconventionalcycles=150,xqc) guess=mix Title -1 2 V -2.0946197 -0.5586744 -0.6387125 V 0.5771754 -1.0911987 -1.9262851 V -0.1588563 -1.8272997 1.2891954 O -0.0101977 0.0088971 -0.0312862 O -3.6591152 -0.6256053 -0.9846672 O -1.8063608 1.2254197 -1.5455998 O -1.7944442 -1.8731224 0.5843003 O -2.3540453 0.6871246 1.0070790 O -1.2452289 -1.3504325 -1.9611901 V 0.1385154 1.8452268 -1.3519754 O 0.6013289 -2.5581514 -0.4481231 O 2.3337233 -0.6692616 -1.0698635 O 0.5213474 0.5522397 -2.5884545 O 1.1506298 -2.0288905 -3.0737861 V 2.0742740 0.5765139 0.5760067 O -0.6216163 2.5760115 0.3853219 O 1.7740738 1.8909247 -0.6470383 O -0.0350416 3.1901805 -2.1815443 V -0.5974700 1.1089760 1.8635255 C -1.7080813 3.4551241 0.3407754 C -2.8252616 2.1818945 -1.5019503 C -3.3449933 1.6757998 0.9616538 C -3.0188345 2.7542358 -0.0852204 H -3.7463665 1.7195480 -1.8616313 H -2.5703970 3.0108316 -2.1687237 H -1.4912275 4.2550932 -0.3769435 H -1.8543953 3.8916279 1.3346024 H -3.4275003 2.1595761 1.9382628 H -4.2925613 1.1910579 0.7423674 O 1.7860707 -1.2075585 1.4828300 O -0.5416923 -0.5344260 2.5258026 O 0.0148120 -3.1722869 2.1187018 O 1.2249250 1.3683269 1.8984824 O -1.1709724 2.0467320 3.0109572 C 1.6877892 -3.4372680 -0.4035318 C 2.8049563 -2.1640509 1.4392044 O 3.6387823 0.6434568 0.9219038 C 2.9985327 -2.7363754 0.0224705 H 1.4709097 -4.2372155 0.3142026 H 1.8341188 -3.8737987 -1.3973449 H 3.7260734 -1.7017417 1.7989037 H 2.5500483 -2.9929917 2.1059547 C 3.3246798 -1.6579307 -1.0244078 H 3.4072064 -2.1417151 -2.0010126 H 4.2722300 -1.1731611 -0.8051267 N 4.0274383 -3.7790674 0.0418729 H 3.6939932 -4.7255435 -0.0760116 N -4.0477690 3.7968881 -0.1046054 H -3.7143859 4.7433769 0.0133509 C 5.3474858 -3.7530260 0.3566803 C -5.3678898 3.7707326 -0.4190599 O 6.0011147 -4.7827066 0.4510194 O -6.0215869 4.8003719 -0.5134131 C 6.0488574 -2.4096840 0.5754221 H 5.3691428 -1.5911419 0.7696631 H 6.7116209 -2.5408791 1.4304542 C -6.0691780 2.4273206 -0.6377191 H -6.7321179 2.5584563 -1.4926216 H -5.3894347 1.6088236 -0.8320695 O 6.8406459 -2.1756328 -0.5954042 O -6.8607508 2.1931449 0.5332223 C 7.1699156 -0.9414274 -1.0710536 C -7.1898273 0.9588665 1.0088045 O 7.8348732 -0.9155859 -2.0749761 O -7.8545006 0.9328376 2.0129088 C 6.6927692 0.2832965 -0.3202295 H 5.6499012 0.1301176 -0.0452052 C 6.7384967 1.5764628 -1.1621753 C 7.4778481 0.5166691 0.9978553 H 6.2219489 1.3985065 -2.1057104 C 8.1790664 2.0339239 -1.4356419 C 6.0075866 2.6706520 -0.3667620 H 7.4948533 -0.3996886 1.5896114 C 8.9175929 0.9541990 0.6939412 C 6.7518439 1.6167311 1.7870807 H 8.1517925 2.9648590 -2.0101292 H 8.7027015 1.2909355 -2.0331560 C 8.9085212 2.2660677 -0.1058581 H 4.9737961 2.3796929 -0.1835305 H 5.9896732 3.5935129 -0.9531032 C 6.7339175 2.9142157 0.9661511 H 9.4425124 0.1788981 0.1304316 H 9.4574028 1.0912717 1.6360050 H 5.7320465 1.3037286 2.0097137 H 7.2692655 1.7838806 2.7372788 H 9.9388496 2.5783673 -0.3013268 C 8.1799145 3.3553488 0.6956000 H 6.2073109 3.6886831 1.5284595 H 8.6997613 3.5391450 1.6418783 H 8.1880663 4.2948717 0.1347694 C -6.7127399 -0.2657112 0.2577048 H -5.6699084 -0.1124422 -0.0174245 C -7.4979670 -0.4988900 -1.0602987 C -6.7583532 -1.5590063 1.0994772 H -7.5150142 0.4175407 -1.6519423 C -8.9376877 -0.9363708 -0.7562163 C -6.7721221 -1.5988979 -1.8497577 H -6.2416616 -1.3811869 2.0429571 C -8.1989075 -2.0164026 1.3731253 C -6.0276245 -2.6531408 0.3038205 H -9.4776359 -1.0732967 -1.6982190 H -9.4624851 -0.1611080 -0.1925360 C -8.9285739 -2.2483382 0.0434292 H -5.7523319 -1.2859367 -2.0724868 H -7.2896746 -1.7659015 -2.7999092 C -6.7541687 -2.8964947 -1.0290048 H -8.7223917 -1.2734369 1.9708063 H -8.1716094 -2.9473994 1.9475133 H -4.9938432 -2.3622279 0.1204598 H -6.0096760 -3.5760861 0.8900294 H -9.9588903 -2.5606046 0.2390140 C -8.2001517 -3.3375664 -0.7582759 H -6.2276917 -3.6709219 -1.5914883 H -8.2082839 -4.2771562 -0.1975556 H -8.7201609 -3.5212140 -1.7044926