%chk=000276146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276146

0 1
O -2.945646 -1.099929 -2.084958
O -4.524193 1.237713 -1.735327
O 2.930353 -1.243301 -2.012465
O 5.199139 -0.024439 -0.524192
N -0.485751 0.879742 3.201805
N 2.627570 0.059354 3.439748
C 0.291306 -1.147749 2.130606
C -0.630131 0.050299 2.159208
C -1.604253 0.278117 1.120854
C 1.563973 -0.827893 1.397230
C -2.427657 1.430801 1.227032
C 2.673438 -0.220985 2.061856
C -1.768236 -0.597878 0.002599
C 1.674880 -1.130958 0.042602
C -3.403728 1.696200 0.219773
C -2.707073 -0.330407 -0.960672
C -2.255487 2.299288 2.346371
C -3.551318 0.845591 -0.855026
C 2.851255 -0.867122 -0.670373
C 3.865513 0.024379 1.355394
C 3.962956 -0.306252 -0.005069
C -1.296279 1.997300 3.288235
C -2.162434 -2.309379 -2.243207
C -4.791588 0.411885 -2.897662
C 2.214202 -0.343203 -2.900282
C 5.479428 -0.420182 -1.892032
H -0.219993 -2.019321 1.669984
H 0.515976 -1.485801 3.169938
H -1.122931 -1.474080 -0.060859
H 0.839122 -1.583729 -0.492211
H -4.037592 2.579234 0.300477
H -2.880800 3.183672 2.438721
H 4.733314 0.458188 1.846993
H -1.118527 2.625345 4.167355
H 3.320861 0.705736 3.788915
H 1.708125 0.226184 3.845271
H -1.100061 -2.066604 -2.339961
H -2.561262 -2.709448 -3.184360
H -2.351462 -2.997786 -1.414314
H -5.601864 0.968631 -3.383054
H -5.116392 -0.585790 -2.583879
H -3.900409 0.357016 -3.532068
H 2.615559 0.670381 -2.818275
H 1.146022 -0.356493 -2.670534
H 2.414953 -0.776666 -3.885154
H 4.949212 0.245391 -2.577502
H 5.189958 -1.464133 -2.061132
H 6.565053 -0.283218 -1.947402


%chk=000276146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276146

0 1
O -3.011979 -0.729431 -2.271557
O -4.814474 1.363697 -1.593318
O 3.136117 -1.582497 -2.161191
O 5.146322 0.174446 -0.939888
N -0.563585 0.694641 3.247153
N 2.329998 0.623173 3.008086
C 0.299579 -1.172077 1.933095
C -0.705898 -0.034006 2.110341
C -1.731971 0.261506 1.138056
C 1.550900 -0.782672 1.146788
C -2.649934 1.344552 1.420041
C 2.527402 0.093932 1.733422
C -1.869752 -0.450946 -0.095880
C 1.792160 -1.304897 -0.142292
C -3.686876 1.639627 0.482982
C -2.870459 -0.124123 -1.015393
C -2.480074 2.077592 2.638087
C -3.820671 0.929556 -0.710622
C 2.961124 -1.006652 -0.870711
C 3.723072 0.369913 1.007905
C 3.947879 -0.177605 -0.267456
C -1.438152 1.734600 3.497683
C -2.001546 -1.720273 -2.663081
C -5.690624 0.364456 -2.243885
C 3.124912 -0.588800 -3.257643
C 6.034339 -0.970583 -1.242919
H -0.188115 -2.035348 1.447269
H 0.591878 -1.493531 2.951246
H -1.150313 -1.235711 -0.334104
H 1.070110 -1.987649 -0.607143
H -4.400963 2.445174 0.681853
H -3.156288 2.902722 2.884247
H 4.498458 1.016715 1.433694
H -1.266031 2.281619 4.430182
H 3.039447 1.239196 3.398514
H 1.381172 0.642754 3.419504
H -0.988341 -1.275099 -2.658804
H -2.275348 -2.019130 -3.685126
H -2.025954 -2.602863 -1.995364
H -6.426996 0.964533 -2.799185
H -6.205270 -0.249021 -1.479904
H -5.117080 -0.282350 -2.925230
H 3.928659 0.157805 -3.120456
H 2.145532 -0.072330 -3.300994
H 3.288289 -1.163082 -4.183443
H 5.509586 -1.725967 -1.855304
H 6.391952 -1.433636 -0.303051
H 6.884913 -0.544227 -1.797204


