%chk=000193988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193988

0 1
O -2.156848 -1.613471 1.355728
N -1.587694 -0.429588 -0.516462
N -4.259694 0.550136 -0.502392
C 0.705933 0.736875 -0.479368
C 0.812498 -0.471797 -1.422573
C -0.162090 -0.502244 -0.246527
C 1.799692 1.107384 0.456499
C 1.993156 -1.376194 -1.433299
C -2.510410 -0.985390 0.370468
C 1.828290 0.636307 1.777060
C 3.253009 -0.884826 -1.807015
C 2.808508 1.977515 0.008109
C 1.840880 -2.734246 -1.113848
C -3.985249 -0.831043 -0.001585
C -4.295837 1.551789 0.618325
C -5.609017 0.645641 -1.156603
C -5.768458 1.757499 1.033344
C -6.616064 1.171670 -0.110835
C 2.860790 1.024083 2.636008
C 4.351913 -1.746490 -1.854301
C 3.837905 2.359343 0.870870
C 2.943817 -3.590491 -1.164616
C 3.867295 1.883480 2.186203
C 4.200100 -3.099535 -1.534432
H 0.214326 1.631542 -0.894378
H 0.406379 -0.337268 -2.437494
H 0.064584 -1.160873 0.616208
H -1.905096 0.167558 -1.280032
H 1.046135 -0.030912 2.139108
H 3.374546 0.169293 -2.048451
H 2.788368 2.352713 -1.012668
H 0.864095 -3.120331 -0.825740
H -4.221419 -1.570629 -0.800553
H -4.597532 -1.122448 0.883019
H -3.864379 2.491867 0.212692
H -3.660258 1.247630 1.470386
H -5.929671 -0.312925 -1.600836
H -5.497163 1.368568 -1.993790
H -5.989549 2.824986 1.194811
H -5.986178 1.248527 1.987429
H -7.268263 0.361744 0.255980
H -7.282538 1.931936 -0.549366
H 2.879186 0.652592 3.659555
H 5.329565 -1.361535 -2.138728
H 4.619837 3.029654 0.518541
H 2.823414 -4.642997 -0.913486
H 4.670583 2.181315 2.856099
H 5.057304 -3.767916 -1.571164


%chk=000193988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193988

0 1
O -2.092128 -2.261030 -0.356111
N -1.546006 0.016930 -0.373630
N -4.105821 0.833119 -0.341818
C 0.869666 0.873631 -0.632912
C 0.800122 -0.544658 -1.291215
C -0.136772 -0.176566 -0.141340
C 1.995416 1.370820 0.219649
C 1.841815 -1.616097 -1.128713
C -2.425772 -1.038028 -0.442812
C 2.600075 0.590295 1.242264
C 3.192268 -1.398108 -1.500536
C 2.483896 2.688170 0.004291
C 1.448727 -2.897937 -0.661101
C -3.888466 -0.603041 -0.673086
C -4.444867 1.050190 1.104066
C -5.255635 1.464467 -1.058990
C -6.006017 0.927118 1.224685
C -6.531111 1.088782 -0.240470
C 3.652046 1.114785 2.023533
C 4.138683 -2.442960 -1.404409
C 3.536910 3.213986 0.784231
C 2.396015 -3.941791 -0.565452
C 4.126773 2.428277 1.800853
C 3.743339 -3.717939 -0.936137
H 0.435724 1.652567 -1.273540
H 0.322065 -0.524155 -2.279997
H 0.097930 -0.653554 0.819302
H -1.993853 0.946131 -0.401855
H 2.260665 -0.434876 1.424653
H 3.499760 -0.407286 -1.854501
H 2.031169 3.306784 -0.781190
H 0.397134 -3.063028 -0.393534
H -4.109254 -0.761638 -1.745581
H -4.531626 -1.306805 -0.102268
H -4.120669 2.067841 1.390578
H -3.900163 0.329748 1.737191
H -5.287960 1.136530 -2.111489
H -5.108756 2.561518 -1.047163
H -6.407865 1.708701 1.892730
H -6.301497 -0.048964 1.646799
H -6.956383 0.137863 -0.608689
H -7.316654 1.859699 -0.324104
H 4.105463 0.494286 2.804824
H 5.181341 -2.262978 -1.690643
H 3.894510 4.233659 0.600403
H 2.083016 -4.929655 -0.208061
H 4.943983 2.832265 2.408716
H 4.477463 -4.528569 -0.861524


