%chk=000281028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281028

0 1
O 0.457906 -2.318984 1.165312
N -1.479032 -0.185569 1.523556
C -0.052034 0.010386 1.119827
C 0.601592 -1.157563 0.315444
C 0.052930 1.309912 0.336735
C 2.066250 -0.895185 0.041470
C -2.372680 -0.605778 0.451192
C -1.604878 -1.062197 2.728352
C 0.565039 2.445856 0.982267
C -0.346688 1.400945 -1.004499
C 2.477888 -0.436544 -1.216958
C 3.016854 -1.111433 1.049538
C -3.161654 0.399048 -0.136258
C -2.505710 -1.941600 0.033040
C 0.684647 3.653957 0.290079
C -0.225298 2.611025 -1.693253
C 0.292630 3.738882 -1.049528
C 3.833401 -0.200198 -1.464641
C 4.370716 -0.877637 0.797312
C -4.075671 0.061349 -1.136244
C -3.426128 -2.265459 -0.965172
C 4.780804 -0.422201 -0.460256
C -4.210884 -1.267460 -1.552341
H 0.536583 0.107298 2.076708
H 0.037002 -1.372996 -0.620724
H -1.104891 -2.041820 2.630881
H -2.670795 -1.230907 2.947986
H -1.168921 -0.531805 3.589678
H 0.865441 2.391275 2.027392
H -0.769250 0.533905 -1.510977
H 1.744334 -0.250626 -2.000763
H 2.690930 -1.462513 2.029545
H 1.019031 -3.049675 0.834689
H -3.053627 1.431882 0.197620
H -1.887888 -2.716067 0.490425
H 1.083106 4.531004 0.797026
H -0.539081 2.674792 -2.733546
H 0.387528 4.679467 -1.587365
H 4.150358 0.160482 -2.441893
H 5.106506 -1.046837 1.581637
H -4.689243 0.837859 -1.590428
H -3.533123 -3.299951 -1.286870
H 5.835594 -0.237996 -0.655709
H -4.927493 -1.524322 -2.328786


%chk=000281028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281028

0 1
O 0.596546 -2.365614 0.775243
N -1.235310 -0.508451 1.416209
C 0.082872 -0.037183 0.922684
C 0.744070 -1.109835 -0.008891
C 0.021784 1.419030 0.402173
C 2.216895 -0.913609 -0.347262
C -2.302799 -0.778901 0.531777
C -1.273566 -1.107003 2.760100
C -0.849867 2.317717 1.072442
C 0.827510 1.927269 -0.647375
C 2.646446 -0.973717 -1.697542
C 3.190258 -0.755925 0.673612
C -2.344246 -0.250068 -0.798361
C -3.409878 -1.581415 0.951721
C -0.917222 3.678273 0.708909
C 0.758307 3.291201 -1.017420
C -0.110885 4.174941 -0.342165
C 4.015598 -0.858836 -2.027488
C 4.557585 -0.634516 0.346967
C -3.435770 -0.511643 -1.648941
C -4.497422 -1.831344 0.088972
C 4.975645 -0.682764 -1.004787
C -4.526910 -1.303669 -1.221031
H 0.727812 -0.007715 1.823552
H 0.161473 -1.193785 -0.948970
H -1.209679 -2.212880 2.728974
H -2.199285 -0.811940 3.290913
H -0.417149 -0.736594 3.346172
H -1.494473 1.926606 1.866926
H 1.522391 1.275859 -1.181340
H 1.903106 -1.112025 -2.493468
H 2.877514 -0.743572 1.723774
H 1.053572 -3.090003 0.276792
H -1.543109 0.398837 -1.159532
H -3.420193 -2.029054 1.948608
H -1.602928 4.348665 1.239471
H 1.389493 3.659887 -1.834293
H -0.162778 5.230910 -0.630383
H 4.331930 -0.907780 -3.075391
H 5.299436 -0.506868 1.143394
H -3.433886 -0.080786 -2.657432
H -5.326036 -2.453658 0.447983
H 6.038071 -0.590495 -1.256186
H -5.372824 -1.501546 -1.887611


