%chk=000261084.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261084

0 1
O -2.480013 -2.546460 0.196521
N 0.173207 -2.298093 0.155037
C 1.276568 1.103070 0.082701
C 2.436472 1.953966 0.450338
C 0.419037 1.623863 -1.008085
C 1.063426 -0.065514 0.712276
C -0.078554 -0.971021 0.468724
C 2.654525 2.313518 1.789497
C 0.135339 0.831353 -2.131383
C 3.319851 2.401003 -0.545432
C -0.106185 2.923245 -0.919201
C -1.368997 -0.518386 0.622988
C 1.450126 -2.918406 -0.023077
C 3.751353 3.110711 2.127768
C -0.669755 1.336977 -3.155514
C 4.417506 3.192422 -0.199388
C -0.915129 3.419734 -1.943917
C -2.542996 -1.347602 0.486391
C -3.887315 -0.717212 0.694824
C 4.634781 3.548428 1.136046
C -1.196758 2.629017 -3.063079
C 1.564933 -4.269979 0.368533
C 2.542043 -2.255913 -0.607974
C -4.092535 0.266995 1.670718
C -4.960947 -1.151667 -0.096923
C 2.775375 -4.935990 0.186470
C 3.749128 -2.940681 -0.774366
C 3.872582 -4.274760 -0.379089
C -5.363556 0.822251 1.844622
C -6.228301 -0.588598 0.073516
C -6.429494 0.398797 1.043683
H 1.747375 -0.414553 1.495975
H -0.668842 -2.930481 0.089442
H 1.966315 1.976212 2.563612
H 0.533782 -0.180344 -2.202177
H 3.145743 2.131485 -1.587029
H 0.116785 3.541292 -0.050153
H -1.524426 0.537756 0.835649
H 3.917763 3.390371 3.167122
H -0.891945 0.718717 -4.024297
H 5.104089 3.534855 -0.972402
H -1.327731 4.424739 -1.870132
H 5.490152 4.166989 1.402527
H -1.828292 3.018071 -3.859891
H 0.716652 -4.789250 0.812866
H 2.456969 -1.225303 -0.946434
H -3.265056 0.594072 2.300260
H -4.796144 -1.937198 -0.837660
H 2.867471 -5.979112 0.489675
H 4.598736 -2.425626 -1.222981
H 4.815263 -4.800258 -0.513070
H -5.523386 1.584286 2.604652
H -7.058867 -0.922982 -0.545096
H -7.417626 0.835794 1.178117


%chk=000261084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261084

0 1
O -2.294488 -2.655563 0.521698
N 0.261826 -2.319762 0.348188
C 1.340997 1.245210 0.038968
C 2.511837 2.065074 0.476420
C 0.384726 1.859567 -0.936006
C 1.214951 -0.047028 0.506196
C 0.054644 -0.953641 0.402731
C 3.066295 1.915948 1.780347
C -0.031391 1.152126 -2.096938
C 3.112306 3.008402 -0.405204
C -0.111399 3.176442 -0.730000
C -1.272293 -0.480622 0.509189
C 1.445902 -3.052490 0.095993
C 4.192126 2.665560 2.179392
C -0.931831 1.734226 -3.012925
C 4.239996 3.756308 -0.006663
C -1.022120 3.755766 -1.640763
C -2.421265 -1.349996 0.528031
C -3.807901 -0.773293 0.564179
C 4.787666 3.587501 1.286527
C -1.437012 3.036577 -2.786041
C 1.477925 -4.405743 0.539975
C 2.562370 -2.536680 -0.621634
C -4.086257 0.595921 0.299922
C -4.889182 -1.649877 0.849236
C 2.605294 -5.212648 0.292322
C 3.691123 -3.351347 -0.852992
C 3.725216 -4.689573 -0.398051
C -5.413710 1.074353 0.330373
C -6.214167 -1.170782 0.884310
C -6.481912 0.195380 0.627127
H 2.058933 -0.463089 1.072647
H -0.659591 -2.838811 0.456013
H 2.591165 1.231467 2.492153
H 0.357867 0.144973 -2.280861
H 2.700007 3.141180 -1.411182
H 0.210542 3.739556 0.153156
H -1.407746 0.593546 0.624300
H 4.597408 2.541188 3.189753
H -1.239661 1.173441 -3.902187
H 4.693442 4.468466 -0.705040
H -1.403440 4.766765 -1.458855
H 5.660509 4.172061 1.597716
H -2.139370 3.486755 -3.496332
H 0.615266 -4.809345 1.082336
H 2.537813 -1.518778 -1.020665
H -3.277322 1.288402 0.043444
H -4.656418 -2.703582 1.033379
H 2.611865 -6.250843 0.642383
H 4.542101 -2.939664 -1.407283
H 4.602516 -5.317134 -0.586809
H -5.616132 2.130087 0.117533
H -7.037903 -1.857280 1.110116
H -7.511626 0.569925 0.652178


