%chk=000231214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231214

0 1
O -2.167817 -1.671076 0.018440
O -2.127480 0.650893 -0.073457
O 0.776328 0.528766 2.288270
O 1.044473 2.319997 -1.977364
N 0.213309 0.244455 -1.232342
N 1.145798 1.693583 0.298836
C -0.009281 -0.383113 0.105703
C 0.671609 -1.758023 0.212031
C -1.516244 -0.507959 0.492239
C 0.668710 0.625033 1.092853
C 2.161852 -1.733679 -0.149732
C 0.804613 1.536396 -1.093600
C 2.787489 -3.117703 -0.001190
C 1.861536 2.872706 0.819745
C -2.334399 -1.811621 -1.408374
C -3.454557 0.938171 0.422631
H 0.137804 -2.481005 -0.440001
H 0.540722 -2.139368 1.247610
H -1.667461 -0.591350 1.593137
H -0.525072 0.131658 -1.926462
H 2.700788 -1.009729 0.493368
H 2.292025 -1.370374 -1.190100
H 2.715100 -3.488543 1.028095
H 2.304586 -3.855593 -0.651790
H 3.851641 -3.097538 -0.265279
H 1.155563 3.696526 1.026986
H 2.601467 3.225477 0.078442
H 2.384366 2.612741 1.757957
H -2.736762 -0.890538 -1.841794
H -3.061743 -2.629954 -1.480920
H -1.380851 -2.095772 -1.864488
H -3.780197 1.759054 -0.227831
H -3.394474 1.263573 1.465538
H -4.100641 0.061409 0.311644


%chk=000231214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231214

0 1
O -2.220001 -1.660828 -0.186278
O -2.114877 0.736803 0.082351
O 0.654437 0.597937 2.239643
O 1.127972 2.217934 -2.153796
N 0.258025 0.181993 -1.276960
N 1.073543 1.692770 0.181189
C 0.006897 -0.424315 0.040395
C 0.700738 -1.796913 0.249072
C -1.510947 -0.534566 0.413345
C 0.608434 0.657030 0.984219
C 2.224191 -1.790025 -0.000474
C 0.836243 1.439535 -1.214352
C 2.836658 -3.195497 0.180425
C 1.675137 2.932527 0.671334
C -2.373761 -1.615881 -1.649847
C -3.413656 0.950659 0.745424
H 0.208134 -2.544683 -0.402455
H 0.500164 -2.111003 1.292023
H -1.581080 -0.750978 1.498401
H -0.061959 -0.199016 -2.163352
H 2.711344 -1.085422 0.702023
H 2.434685 -1.418618 -1.022062
H 2.666968 -3.573999 1.205627
H 2.387306 -3.920790 -0.524126
H 3.927028 -3.182524 0.001695
H 0.977848 3.456602 1.346901
H 1.894090 3.564837 -0.203966
H 2.607333 2.721093 1.222417
H -2.606791 -0.591213 -1.993789
H -3.213264 -2.289276 -1.881507
H -1.465396 -1.995832 -2.162673
H -3.773968 1.926749 0.387445
H -3.286063 0.977037 1.845441
H -4.132609 0.155372 0.475066


