%chk=000208299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208299

0 1
O 4.028948 1.148895 -0.267724
N -0.876003 -1.404561 -0.061186
N -3.684100 1.100710 0.110982
C 0.467424 0.440721 -0.102072
C 0.450802 -0.957679 -0.120318
C -0.886041 0.892875 -0.029395
C -1.723830 -0.281229 -0.004227
C 1.716365 1.238421 -0.152672
C 1.658987 -1.828551 -0.191447
C 2.917332 0.329431 -0.224135
C 2.920944 -1.014072 -0.242566
C -3.139996 -0.126784 0.067486
C -1.313614 -2.803554 -0.058885
C -1.490475 2.166380 0.017703
C -2.871992 2.218199 0.086315
C -4.076735 -1.290556 0.097634
C 5.333050 0.526466 -0.340335
H 1.711896 1.923855 -1.030866
H 1.799044 1.899801 0.739958
H 1.698389 -2.506078 0.691348
H 1.610715 -2.482187 -1.091626
H 3.830760 -1.598860 -0.295322
H -0.453723 -3.492333 -0.110484
H -1.878061 -3.036093 0.863326
H -1.965882 -3.011579 -0.927461
H -0.880188 3.062987 -0.000046
H -3.414176 3.168225 0.125953
H -3.900151 -1.925582 0.974724
H -5.127447 -0.953377 0.153899
H -3.987873 -1.901195 -0.809534
H 6.000163 1.397457 -0.361299
H 5.422444 -0.059363 -1.259548
H 5.511422 -0.083990 0.549419


%chk=000208299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208299

0 1
O 4.103906 1.176145 -0.268743
N -0.892403 -1.392543 -0.063416
N -3.735120 1.090532 0.115544
C 0.456639 0.464602 -0.105846
C 0.436895 -0.927634 -0.123825
C -0.912630 0.905988 -0.031462
C -1.749307 -0.271365 -0.005268
C 1.723010 1.275054 -0.156322
C 1.649101 -1.812430 -0.195590
C 2.944332 0.379217 -0.225597
C 2.925092 -0.984980 -0.243488
C -3.166808 -0.149844 0.069512
C -1.281639 -2.807275 -0.061752
C -1.534923 2.180651 0.017681
C -2.937005 2.212230 0.089728
C -4.136650 -1.318641 0.105280
C 5.392692 0.486218 -0.337896
H 1.735264 1.955909 -1.032377
H 1.819088 1.933474 0.731650
H 1.687237 -2.500611 0.678214
H 1.602930 -2.473009 -1.090050
H 3.859808 -1.554276 -0.294663
H -0.376110 -3.430698 -0.115421
H -1.827014 -3.072821 0.860477
H -1.917130 -3.050285 -0.930938
H -0.951754 3.107335 0.001026
H -3.476616 3.164932 0.130454
H -3.973095 -1.970525 0.983540
H -5.155870 -0.906047 0.164051
H -4.067157 -1.948542 -0.801212
H 6.149224 1.284289 -0.363552
H 5.464737 -0.132975 -1.254077
H 5.549672 -0.155276 0.551936


