%chk=000239742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239742

0 1
O -3.540703 0.780934 0.820262
N -1.290905 0.197678 0.553476
N 0.425768 1.725987 0.531291
N 0.020681 -1.855774 -0.024818
N 3.368541 0.760527 -0.125206
N 2.405249 -1.392409 -0.324005
C -2.673201 -0.347928 0.704864
C -3.131349 -1.154558 -0.520488
C -3.984321 -0.181437 -1.349637
C -4.180783 1.055342 -0.464033
C -0.130231 -0.513049 0.232025
C 0.939072 0.452709 0.224337
C -0.887348 1.562741 0.721795
C 2.257101 -0.032014 -0.069993
C 1.309008 -2.205100 -0.288446
C 3.287012 2.209118 0.161447
C 4.712670 0.214490 -0.412090
H -2.744802 -0.876961 1.684355
H -3.715922 -2.035665 -0.198904
H -2.281772 -1.565343 -1.102475
H -3.476851 0.081175 -2.295629
H -4.948650 -0.637920 -1.632181
H -3.699871 1.961663 -0.864070
H -5.229437 1.257659 -0.194915
H -1.607837 2.327368 0.982637
H 1.499254 -3.271213 -0.499831
H 2.593552 2.708436 -0.544000
H 4.273644 2.686854 0.080682
H 2.888872 2.389329 1.179495
H 5.373529 0.331086 0.463190
H 5.158669 0.730770 -1.278306
H 4.668161 -0.867597 -0.654428


%chk=000239742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239742

0 1
O -3.643388 0.788514 0.824163
N -1.326289 0.233323 0.548936
N 0.382742 1.757604 0.589119
N -0.053601 -1.812287 -0.057783
N 3.352907 0.764369 -0.100993
N 2.337828 -1.353342 -0.348272
C -2.702520 -0.321018 0.752004
C -3.156416 -1.184927 -0.439347
C -3.656100 -0.114061 -1.442751
C -4.287702 0.957481 -0.523961
C -0.162986 -0.477452 0.223168
C 0.893559 0.484597 0.246221
C -0.934650 1.560881 0.768649
C 2.212412 -0.004051 -0.065372
C 1.239716 -2.156690 -0.329257
C 3.364757 2.210448 0.178482
C 4.658231 0.165812 -0.427924
H -2.728518 -0.843232 1.722937
H -3.990533 -1.826487 -0.102463
H -2.343823 -1.822451 -0.819141
H -2.806116 0.304594 -2.008958
H -4.383416 -0.523844 -2.162524
H -4.102313 1.991951 -0.861134
H -5.372116 0.806302 -0.376910
H -1.655556 2.320811 1.054304
H 1.418461 -3.211239 -0.562085
H 2.350468 2.567217 0.410859
H 3.754508 2.760697 -0.700698
H 4.031049 2.422570 1.038060
H 5.367830 0.321688 0.407812
H 5.078208 0.639503 -1.336762
H 4.520165 -0.910383 -0.601979


