%chk=000236960.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236960

0 1
O 1.976745 -3.223347 0.000791
N 3.047392 -1.175600 0.000585
C 2.164789 1.125439 -0.000216
C 3.569319 1.704290 -0.000346
C -0.491101 0.099963 0.000032
C -0.258309 1.492854 -0.000401
C -1.862780 -0.399439 0.000142
C 1.920177 -0.290177 0.000238
C 1.075599 1.977140 -0.000516
C 0.620397 -0.777299 0.000353
C -2.940347 0.518696 -0.000170
C -1.379699 2.403337 -0.000718
C -2.654952 1.937756 -0.000605
C 3.809704 2.533119 1.267693
C 3.809663 2.532750 -1.268633
C -4.282901 0.023749 -0.000051
C -2.134399 -1.793716 0.000558
C -4.513339 -1.343597 0.000367
C -3.434442 -2.254503 0.000669
C -5.443584 0.968001 -0.000371
C 3.010813 -2.586201 0.000816
C 4.376095 -3.220790 0.001091
H 4.325938 0.871680 -0.000247
H 1.233955 3.056744 -0.000853
H 0.435420 -1.861623 0.000688
H -1.169407 3.471669 -0.001050
H -3.494953 2.631167 -0.000843
H 3.599898 1.947067 2.170365
H 4.845916 2.881862 1.325645
H 3.165781 3.419318 1.304913
H 3.165819 3.418996 -1.306046
H 4.845902 2.881384 -1.326770
H 3.599734 1.946461 -2.171123
H -1.298205 -2.498087 0.000785
H 3.964342 -0.707834 0.000589
H -5.529589 -1.732678 0.000468
H -3.641876 -3.323761 0.000989
H -6.409799 0.446353 -0.000279
H -5.431705 1.616006 0.887654
H -5.431614 1.615521 -0.888750
H 4.963380 -2.958198 0.890243
H 4.271772 -4.319649 0.001864
H 4.963051 -2.959426 -0.888649


%chk=000236960-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236960

0 1
O 2.028191 -3.346272 0.001209
N 3.044874 -1.219851 0.000579
C 2.189952 1.097914 -0.000325
C 3.598378 1.716127 -0.000501
C -0.510266 0.058227 -0.000007
C -0.267022 1.476721 -0.000436
C -1.892082 -0.435699 0.000113
C 1.933189 -0.324560 0.000176
C 1.077245 1.949204 -0.000584
C 0.611819 -0.815320 0.000304
C -2.982677 0.512650 -0.000181
C -1.381078 2.393033 -0.000716
C -2.683631 1.929783 -0.000589
C 3.851823 2.556645 1.280605
C 3.851502 2.556805 -1.281560
C -4.347419 0.046362 -0.000072
C -2.196648 -1.831296 0.000510
C -4.594426 -1.336138 0.000321
C -3.524296 -2.273388 0.000611
C -5.511225 1.023577 -0.000377
C 3.063958 -2.617334 0.001070
C 4.477573 -3.205567 0.001271
H 4.371449 0.919645 -0.000688
H 1.235637 3.034834 -0.000924
H 0.484101 -1.897320 0.000670
H -1.174469 3.470154 -0.001034
H -3.511938 2.644900 -0.000804
H 3.705603 1.950308 2.192337
H 4.883424 2.955305 1.286356
H 3.157768 3.414682 1.334514
H 3.157498 3.414900 -1.335187
H 4.883124 2.955406 -1.287533
H 3.705011 1.950586 -2.193325
H -1.391202 -2.571009 0.000734
H 3.963873 -0.773852 0.000508
H -5.629566 -1.697802 0.000401
H -3.742727 -3.346914 0.000914
H -6.472275 0.482606 -0.000245
H -5.496642 1.680974 0.889810
H -5.496603 1.680468 -0.890938
H 5.045469 -2.890168 0.896403
H 4.398461 -4.301915 0.002405
H 5.044869 -2.892015 -0.894893


