%chk=000220389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220389

0 1
O -0.016914 -3.678891 0.924428
O 7.537715 2.524752 -1.077922
O -7.627988 2.432061 1.011122
O 7.618598 2.395924 1.080098
O -7.524980 2.563017 -1.145828
N -0.021843 -1.929694 2.353467
N -0.001457 -2.773207 -2.379628
N 7.132534 2.113058 -0.003202
N -7.132539 2.148097 -0.067628
C -0.008476 -1.462848 -0.106178
C 1.263581 -0.580226 -0.052749
C -1.276589 -0.573928 -0.064416
C 2.558981 -1.404078 -0.037707
C -2.576105 -1.391354 -0.060954
C -0.016073 -2.473317 1.072429
C 3.756269 -0.494209 -0.028254
C -3.768952 -0.475621 -0.062259
C -0.004606 -2.213688 -1.370701
C 4.266120 0.009000 -1.237633
C -4.385934 -0.119149 1.149092
C 4.363052 -0.139447 1.188754
C -4.264418 0.031319 -1.276062
C 5.370148 0.858808 -1.236073
C -5.486805 0.735201 1.152604
C 5.467986 0.709523 1.202223
C -5.364235 0.886513 -1.284447
C 5.964443 1.208097 -0.012635
C -5.968838 1.237446 -0.066531
H 1.230534 0.083063 0.833666
H 1.269741 0.102438 -0.930168
H -1.271389 0.108533 -0.942005
H -1.248298 0.089442 0.822088
H 2.597939 -2.083512 -0.919281
H 2.579238 -2.088862 0.837338
H -2.607555 -2.076010 0.813855
H -2.610584 -2.070621 -0.942859
H 3.801873 -0.270487 -2.184616
H -4.010234 -0.516085 2.091907
H 3.976149 -0.533553 2.128220
H -3.792245 -0.249484 -2.218726
H -0.026820 -2.549374 3.152568
H -0.021733 -0.946692 2.547840
H 5.779397 1.255656 -2.172473
H -5.979520 1.018557 2.089753
H 5.952842 0.991495 2.143876
H -5.762312 1.286338 -2.224392


%chk=000220389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220389

0 1
O -0.018383 -3.826194 0.960154
O 7.489200 2.714862 -1.211270
O -7.706475 2.539107 0.969179
O 7.706108 2.486927 1.048419
O -7.481339 2.739018 -1.292361
N -0.017518 -2.018176 2.406614
N -0.003522 -2.806452 -2.387636
N 7.131135 2.214597 -0.075822
N -7.129429 2.250449 -0.149920
C -0.009578 -1.543044 -0.033355
C 1.276536 -0.642999 0.023813
C -1.291959 -0.637156 0.014573
C 2.606120 -1.445359 -0.014159
C -2.625021 -1.433380 -0.030892
C -0.016001 -2.579287 1.140004
C 3.808841 -0.517002 -0.030630
C -3.822830 -0.499062 -0.061994
C -0.006840 -2.283860 -1.316254
C 4.250708 0.066007 -1.249106
C -4.506704 -0.150133 1.132742
C 4.490828 -0.185981 1.170244
C -4.257536 0.072046 -1.288631
C 5.337439 0.960049 -1.276113
C -5.591127 0.748377 1.115985
C 5.580379 0.706482 1.167477
C -5.339125 0.971794 -1.329646
C 5.986287 1.271264 -0.060884
C -5.989981 1.300940 -0.120235
H 1.243393 -0.020854 0.939647
H 1.244938 0.056579 -0.832991
H -1.251798 0.060969 -0.843059
H -1.261703 -0.013656 0.929618
H 2.607779 -2.086987 -0.915068
H 2.654750 -2.117250 0.862485
H -2.684212 -2.100858 0.848498
H -2.622373 -2.079156 -0.928790
H 3.744853 -0.194665 -2.186069
H -4.192477 -0.596288 2.083433
H 4.170959 -0.641411 2.114620
H -3.750005 -0.202348 -2.220750
H -0.021203 -2.650237 3.207681
H -0.015101 -1.013601 2.573583
H 5.692071 1.412801 -2.205779
H -6.130748 1.023627 2.025993
H 6.118619 0.967940 2.082357
H -5.688258 1.415563 -2.265705


