%chk=000297048.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297048

0 1
O -4.916792 -2.079835 -0.352995
O -5.568736 -0.130937 0.318107
N 3.828861 -0.521231 0.188897
N 0.502393 1.132492 -0.320750
N -1.135216 2.576690 0.384700
N -4.708325 -0.914504 -0.050646
C 2.469381 -0.069087 0.613404
C 1.850875 0.624364 -0.624185
C 3.833256 -1.980579 -0.165963
C 4.882341 -0.190942 1.203741
C -0.688887 0.399665 -0.327470
C -1.714867 1.319990 0.111138
C 0.171715 2.446453 0.133149
C 5.028719 -2.291614 -1.066653
C 5.140989 1.315597 1.225737
C -0.992951 -0.934545 -0.669571
C -3.049157 0.901372 0.205899
C -3.321011 -0.421814 -0.136080
C -2.310825 -1.330158 -0.569550
H 2.524652 0.652066 1.457773
H 1.812395 -0.892084 0.965666
H 1.800639 -0.082201 -1.484560
H 2.503950 1.465648 -0.954557
H 3.846363 -2.639686 0.729405
H 2.894875 -2.212267 -0.717151
H 4.627351 -0.553715 2.222879
H 5.819135 -0.716094 0.904869
H 0.920564 3.221762 0.235124
H 4.962392 -3.307156 -1.471331
H 5.077216 -1.593375 -1.913623
H 5.981697 -2.206580 -0.531327
H 6.021087 1.551624 1.834432
H 5.325375 1.697100 0.212205
H 4.294772 1.877458 1.634884
H -0.215254 -1.617023 -1.001133
H -3.836731 1.589685 0.534998
H -2.610540 -2.354636 -0.821964


%chk=000297048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297048

0 1
O -4.920271 -2.223766 -0.169932
O -5.626174 -0.127711 0.385605
N 3.840344 -0.486087 0.244517
N 0.472596 1.155068 -0.412668
N -1.192675 2.628992 0.177926
N -4.702572 -0.967563 0.051726
C 2.493967 0.024947 0.576906
C 1.834270 0.658768 -0.677111
C 3.818997 -1.884053 -0.269828
C 4.849808 -0.261330 1.315727
C -0.702193 0.399213 -0.353269
C -1.737814 1.333895 0.012189
C 0.112416 2.473870 -0.079724
C 5.006237 -2.207334 -1.196070
C 5.288819 1.210913 1.425797
C -0.969642 -0.969179 -0.588980
C -3.069268 0.900807 0.152183
C -3.316445 -0.466829 -0.084858
C -2.299142 -1.397186 -0.450888
H 2.575083 0.802612 1.356914
H 1.825189 -0.768504 0.988072
H 1.792698 -0.076995 -1.500611
H 2.459268 1.499280 -1.022456
H 3.779306 -2.622586 0.569770
H 2.881527 -2.018199 -0.843488
H 4.479391 -0.622983 2.307439
H 5.735911 -0.873696 1.070965
H 0.851133 3.273853 -0.053241
H 4.925050 -3.241488 -1.578986
H 5.022778 -1.511776 -2.053081
H 5.974771 -2.122868 -0.671528
H 6.057029 1.325743 2.212688
H 5.711395 1.554834 0.465788
H 4.445870 1.876788 1.687813
H -0.183952 -1.677665 -0.869080
H -3.879104 1.579274 0.428757
H -2.582899 -2.439156 -0.617485


