%chk=000229390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229390

0 1
O 1.188777 1.115754 2.089194
N 2.068862 0.880597 -0.002343
C 3.601574 -1.417273 -0.977462
C 3.757751 -0.907802 0.461560
C 2.208106 -1.092970 -1.532584
C 3.416562 0.587968 0.565877
C 1.897329 0.408433 -1.402005
C 0.988871 0.995740 0.890602
C -0.383847 1.083583 0.285452
C -1.203243 -0.091744 0.230164
C -2.502231 0.014493 -0.333923
C -0.851572 2.293979 -0.169035
C -0.761798 -1.360863 0.725136
C -2.963188 1.284163 -0.807261
C -2.160564 2.393956 -0.721152
C -3.327627 -1.152814 -0.412011
C -1.575988 -2.461881 0.640410
C -2.874249 -2.358601 0.059809
H 4.378311 -0.963445 -1.622907
H 3.775887 -2.509189 -1.011531
H 3.101532 -1.486610 1.141035
H 4.790146 -1.078517 0.819082
H 2.137860 -1.396770 -2.593387
H 1.439636 -1.683372 -0.995410
H 3.441401 0.920158 1.631295
H 4.158746 1.201504 0.011064
H 2.589712 1.001623 -2.042057
H 0.868149 0.624839 -1.760981
H -0.232498 3.190422 -0.111139
H 0.223631 -1.431300 1.188590
H -3.964809 1.350815 -1.231233
H -2.507717 3.365950 -1.069234
H -4.320860 -1.060899 -0.849332
H -1.248363 -3.428772 1.020399
H -3.495988 -3.250954 0.005516


%chk=000229390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229390

0 1
O 0.985357 0.341669 2.133744
N 2.049711 0.557316 0.069345
C 4.212251 -0.933075 -1.233421
C 4.134022 -0.802151 0.306345
C 2.799247 -0.843028 -1.855448
C 3.384727 0.487690 0.711286
C 2.070920 0.449298 -1.407651
C 0.910497 0.507992 0.870559
C -0.430819 0.712202 0.198995
C -1.481338 -0.268346 0.346417
C -2.775708 0.002647 -0.251015
C -0.684565 1.911350 -0.481979
C -1.292826 -1.509434 1.043511
C -2.992832 1.243380 -0.936659
C -1.968426 2.185133 -1.043167
C -3.818040 -0.977150 -0.139829
C -2.327253 -2.443383 1.132311
C -3.600647 -2.179173 0.534902
H 4.844594 -0.115689 -1.639193
H 4.698030 -1.885241 -1.517808
H 3.602416 -1.675413 0.731675
H 5.148207 -0.786354 0.749089
H 2.856236 -0.856892 -2.960976
H 2.197804 -1.719924 -1.544518
H 3.228497 0.536877 1.800800
H 3.970140 1.375390 0.392203
H 2.602410 1.331565 -1.823477
H 1.039502 0.463869 -1.790046
H 0.113036 2.658201 -0.570566
H -0.332476 -1.700346 1.531197
H -3.979368 1.442071 -1.372390
H -2.140279 3.136982 -1.556908
H -4.792763 -0.763245 -0.594826
H -2.169205 -3.383485 1.672282
H -4.402758 -2.921102 0.615415


