%chk=000130652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000130652

0 1
O 6.142507 1.158663 1.050862
O 7.530827 -1.452840 -2.034508
O 9.502661 -0.893057 -1.137798
N 6.090511 -0.923004 0.137028
C -5.883090 -1.338324 -0.032473
C -7.417774 -1.135906 -0.138497
C -7.768978 0.073544 -1.007426
C -5.180581 -0.008405 0.239772
C -7.189162 1.355150 -0.398291
C -5.762495 1.191316 0.056076
C -5.337118 -1.918198 -1.352429
C -5.610032 -2.332620 1.115363
C -3.787129 -0.125753 0.716429
C -5.050545 2.487122 0.302488
C -2.724117 -0.049719 -0.094645
C -1.326250 -0.162208 0.359947
C -1.049241 -1.173594 1.426270
C -0.379469 0.631065 -0.187467
C 1.031262 0.609435 0.174308
C 1.906987 1.542871 -0.236724
C 3.332538 1.541691 0.133723
C 3.885727 2.875374 0.498564
C 4.058541 0.400979 0.099912
C 5.479287 0.315033 0.461588
C 7.538698 -1.073875 0.326037
C 8.326934 -1.099048 -0.966803
H -7.843326 -0.999214 0.874112
H -7.889092 -2.048525 -0.544920
H -7.374075 -0.068823 -2.032485
H -8.865888 0.164830 -1.111660
H -7.263699 2.183300 -1.131168
H -7.802365 1.668626 0.473234
H -5.808273 -2.874618 -1.595804
H -5.517491 -1.233666 -2.188184
H -4.256198 -2.086486 -1.296869
H -5.877926 -1.904448 2.086422
H -6.187076 -3.254022 0.987544
H -4.554227 -2.619007 1.158583
H -3.691101 -0.281597 1.793958
H -5.689998 3.213731 0.819602
H -4.736119 2.941931 -0.647500
H -4.144824 2.368494 0.912398
H -2.851201 0.119965 -1.167649
H -1.623819 -2.096930 1.267651
H 0.011603 -1.456902 1.478089
H -1.325650 -0.782057 2.416505
H -0.658417 1.357710 -0.955588
H 1.352858 -0.215697 0.821477
H 1.596097 2.383809 -0.860418
H 4.208208 3.429465 -0.395255
H 4.784776 2.790323 1.144147
H 3.160914 3.501682 1.033715
H 3.584010 -0.532214 -0.207720
H 5.672591 -1.551355 -0.546397
H 7.748711 -2.018815 0.886998
H 7.929289 -0.230793 0.968586
H 8.030410 -1.467396 -2.894610


%chk=000130652-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130652

0 1
O 6.514687 1.820739 -0.155998
O 6.839078 -2.971617 0.443079
O 9.132586 -2.589945 0.419702
N 6.164674 -0.446790 0.110351
C -5.962756 -1.463310 -0.360489
C -7.490046 -1.175872 -0.260495
C -7.850743 0.260866 -0.673507
C -5.120600 -0.273243 0.191703
C -7.173472 1.239126 0.301078
C -5.700879 0.932304 0.547367
C -5.569969 -1.723355 -1.845682
C -5.692006 -2.762979 0.458373
C -3.677079 -0.544025 0.314626
C -4.975411 2.062396 1.259139
C -2.637238 0.342487 0.116136
C -1.217888 0.029425 0.235173
C -0.809915 -1.375655 0.641465
C -0.297205 1.042159 -0.031760
C 1.140197 0.962484 0.017547
C 1.967568 2.036769 -0.262753
C 3.435435 2.079779 -0.253874
C 4.031564 3.463923 -0.455020
C 4.204637 0.941759 -0.087416
C 5.681619 0.853854 -0.052848
C 7.602619 -0.683525 0.160226
C 7.971464 -2.141344 0.349946
H -7.819767 -1.335211 0.787161
H -8.028828 -1.916480 -0.883355
H -7.505991 0.459218 -1.706813
H -8.947434 0.407526 -0.665649
H -7.256482 2.282105 -0.069956
H -7.709854 1.231627 1.275937
H -6.088603 -2.621665 -2.232152
H -5.836572 -0.865710 -2.489467
H -4.480866 -1.884077 -1.944258
H -5.801095 -2.581478 1.543531
H -6.424395 -3.539351 0.166280
H -4.686842 -3.182617 0.273814
H -3.406736 -1.585653 0.533252
H -5.653978 2.526847 2.001381
H -4.683071 2.871051 0.558256
H -4.065108 1.723987 1.779894
H -2.871900 1.370028 -0.192071
H -1.182475 -2.119007 -0.089295
H 0.281647 -1.496527 0.712552
H -1.242994 -1.642277 1.623917
H -0.708858 2.023221 -0.317055
H 1.593341 0.002707 0.298988
H 1.478897 2.991368 -0.512828
H 3.674084 3.890945 -1.412594
H 5.129744 3.435657 -0.455516
H 3.686024 4.144856 0.347243
H 3.683945 -0.020205 0.023103
H 5.542674 -1.251589 0.197168
H 8.073593 -0.100960 0.977466
H 8.098653 -0.322178 -0.763040
H 7.127527 -3.915574 0.566140


