%chk=000227812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227812

0 1
O -4.362316 0.287504 -0.770948
O -3.314708 -2.241708 -0.653825
N 1.008157 -0.387499 0.713164
N 5.300281 0.604957 -0.246836
N -0.169893 2.134783 0.805726
C 1.731719 -1.683273 0.823962
C 3.232806 -1.436503 0.575864
C 3.527467 -1.051563 -0.877979
C 4.989105 -0.611068 -1.071871
C 1.501896 -2.300639 2.210857
C -0.334108 -0.279974 0.411830
C -0.946966 1.047176 0.430665
C -2.314017 1.192978 0.070234
C -1.120841 -1.382601 0.059143
C -3.073759 0.053617 -0.308974
C -2.472235 -1.211093 -0.306402
C 6.773690 0.857123 -0.245069
C 4.576453 1.808199 -0.754473
C -2.877173 2.513335 0.095587
C -2.098912 3.575426 0.467833
C -0.727423 3.339846 0.822688
C -5.397799 -0.349932 0.024634
C -2.770213 -3.583211 -0.701430
H 1.331981 -2.381792 0.039768
H 3.618681 -0.641383 1.251802
H 3.805134 -2.342570 0.850826
H 2.844025 -0.238393 -1.200345
H 3.316276 -1.904804 -1.550348
H 5.665574 -1.428602 -0.738104
H 5.185003 -0.459247 -2.155345
H 1.507859 0.446633 1.033790
H 1.915332 -1.674071 3.010386
H 0.431778 -2.419348 2.422676
H 1.968654 -3.287192 2.291999
H -0.685063 -2.374818 0.053719
H 7.286086 -0.006869 0.206555
H 7.214521 1.046319 -1.234329
H 6.985621 1.727041 0.397381
H 3.489559 1.621138 -0.709055
H 4.831636 2.105260 -1.781496
H 4.782475 2.658378 -0.085139
H -3.925003 2.622971 -0.194268
H -2.488283 4.589639 0.500041
H -0.092335 4.179706 1.124174
H -5.355535 0.005209 1.055748
H -6.310511 -0.018961 -0.480250
H -5.286209 -1.439056 -0.029812
H -3.644486 -4.164303 -1.022176
H -1.969215 -3.641651 -1.443998
H -2.432365 -3.892214 0.291319


%chk=000227812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227812

0 1
O -4.405442 0.372236 -0.667929
O -3.456999 -2.270036 -0.541968
N 1.033780 -0.562083 0.675903
N 5.157053 0.761844 -0.189535
N 0.080639 1.966492 0.556541
C 1.771465 -1.830245 0.768991
C 3.273732 -1.549551 0.523011
C 3.590564 -1.086456 -0.916385
C 4.989148 -0.442388 -1.041683
C 1.541068 -2.535252 2.131282
C -0.303267 -0.414573 0.369974
C -0.814486 0.943843 0.306817
C -2.204986 1.175083 -0.009171
C -1.188130 -1.480782 0.102268
C -3.078358 0.075845 -0.279052
C -2.553177 -1.234717 -0.236369
C 6.576859 1.138770 -0.036794
C 4.332885 1.908128 -0.627916
C -2.640496 2.541711 -0.053342
C -1.728328 3.566991 0.208537
C -0.369084 3.236884 0.508920
C -5.469708 -0.187160 0.191234
C -2.938381 -3.636739 -0.619486
H 1.403627 -2.497637 -0.041339
H 3.620901 -0.768079 1.229165
H 3.849069 -2.466224 0.759784
H 2.813193 -0.375036 -1.254504
H 3.542452 -1.947984 -1.612660
H 5.753648 -1.179450 -0.724555
H 5.190475 -0.209758 -2.120749
H 1.515194 0.322677 0.876355
H 1.984374 -1.939056 2.949689
H 0.463297 -2.653241 2.343064
H 2.010562 -3.536800 2.138491
H -0.822613 -2.508776 0.150955
H 7.147473 0.286853 0.374930
H 7.062990 1.447685 -0.998184
H 6.663514 1.982659 0.671445
H 3.259125 1.655464 -0.601365
H 4.581839 2.252569 -1.664758
H 4.490268 2.756667 0.061690
H -3.685516 2.747305 -0.302377
H -2.035716 4.617344 0.182001
H 0.365079 4.025056 0.712216
H -5.350451 0.160344 1.236644
H -6.412686 0.198313 -0.227506
H -5.456831 -1.289928 0.157150
H -3.798607 -4.250017 -0.926790
H -2.133642 -3.718049 -1.375132
H -2.564967 -3.987850 0.362390


