%chk=000188643.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188643

0 1
O 2.901010 -1.141825 0.037544
O -0.604875 -0.880450 -0.380042
O 4.269691 0.713755 -1.607571
N -1.092206 2.348488 0.835892
C 2.582618 0.304115 0.067473
C 1.551715 -1.646268 0.355849
C 1.454471 0.378671 -0.998328
C 0.755891 -0.992728 -0.838541
C 1.968527 0.459113 1.481609
C 1.219661 -0.884027 1.666219
C 3.882454 1.072010 -0.261017
C 1.578657 -3.146465 0.399178
C 5.016800 0.689720 0.689952
C 3.643407 2.576512 -0.332021
C -1.546739 -0.487777 -1.408575
C -2.851508 -0.314492 -0.675223
C -3.019698 0.709864 0.279404
C -3.922585 -1.178923 -0.941672
C -4.245304 0.861033 0.951394
C -5.140871 -1.022665 -0.275930
C -5.303272 -0.004211 0.669699
C -1.949359 1.613270 0.585589
H 1.881497 0.517464 -2.005446
H 0.767189 1.218310 -0.811255
H 0.790018 -1.604902 -1.755270
H 1.290327 1.325555 1.547926
H 2.745895 0.594543 2.247798
H 1.572850 -1.430574 2.551251
H 0.130752 -0.738157 1.776180
H 1.983474 -3.570773 -0.529453
H 2.219904 -3.510482 1.214052
H 0.571084 -3.554954 0.551573
H 5.986964 0.964054 0.257907
H 4.930069 1.189236 1.659008
H 5.029547 -0.394159 0.875737
H 2.946646 2.826451 -1.143215
H 4.578693 3.107454 -0.551694
H 3.234900 2.971804 0.603094
H 4.373848 -0.262082 -1.675110
H -1.586261 -1.283949 -2.174480
H -1.211001 0.455994 -1.880133
H -3.803377 -1.983579 -1.667618
H -4.365082 1.653630 1.691536
H -5.967343 -1.700459 -0.491834
H -6.254377 0.112553 1.188664


%chk=000188643-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188643

0 1
O 2.989326 -1.184333 0.008097
O -0.636776 -0.976051 -0.275578
O 4.316594 0.605522 -1.663290
N -1.128801 2.260460 1.062445
C 2.647738 0.294417 0.093643
C 1.629592 -1.690304 0.388770
C 1.447902 0.385278 -0.897553
C 0.764462 -1.012598 -0.723022
C 2.104833 0.413494 1.545444
C 1.372773 -0.960966 1.740763
C 3.916735 1.082342 -0.310835
C 1.611095 -3.208281 0.408983
C 5.090344 0.839524 0.666144
C 3.625137 2.581924 -0.477569
C -1.561421 -0.503764 -1.318536
C -2.919600 -0.306719 -0.678484
C -3.117653 0.695841 0.321610
C -4.019571 -1.110147 -1.050243
C -4.392770 0.871547 0.923431
C -5.290048 -0.934007 -0.455146
C -5.476392 0.057783 0.534390
C -2.029036 1.547723 0.728247
H 1.817784 0.539054 -1.924247
H 0.761858 1.205109 -0.623986
H 0.830945 -1.609101 -1.658051
H 1.419373 1.270301 1.656839
H 2.929006 0.524156 2.268704
H 1.823019 -1.541311 2.564178
H 0.294487 -0.844544 1.933165
H 1.917828 -3.620470 -0.569126
H 2.296844 -3.598157 1.181146
H 0.590883 -3.566718 0.633619
H 6.013625 1.235928 0.209923
H 4.935789 1.352353 1.632504
H 5.221403 -0.239707 0.859551
H 2.843490 2.747668 -1.237583
H 4.542320 3.095765 -0.813559
H 3.297115 3.031974 0.475970
H 4.314500 -0.388116 -1.614612
H -1.625467 -1.248425 -2.140068
H -1.188304 0.452477 -1.744763
H -3.877331 -1.887756 -1.809177
H -4.523124 1.644224 1.687529
H -6.128130 -1.570014 -0.759124
H -6.457671 0.196320 0.999557


