%chk=000245361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245361

0 1
O -2.529332 0.788383 -0.162063
O -0.985682 2.072418 0.913642
N -0.319794 0.325321 -0.522066
C -0.799364 -2.148966 -0.562010
C -0.848954 -0.819952 -1.327665
C -1.915187 -2.263305 0.484380
C 1.101277 0.401253 -0.277808
C -1.848778 -3.589023 1.237264
C -1.223250 1.146073 0.165817
C 1.617828 1.056830 0.855318
C 1.981732 -0.183699 -1.210694
C 2.998618 1.121840 1.044729
C 3.359382 -0.109950 -1.001246
C 3.875168 0.538841 0.124231
C -3.552199 1.661889 0.391829
H 0.188834 -2.271899 -0.073364
H -0.877296 -2.984207 -1.285700
H -1.893672 -0.584335 -1.644339
H -0.247422 -0.891271 -2.263939
H -2.903633 -2.154233 -0.004349
H -1.845906 -1.418763 1.199622
H -0.897442 -3.704341 1.769815
H -2.649316 -3.659776 1.982679
H -1.953203 -4.445936 0.562549
H 0.951219 1.531452 1.582309
H 1.599055 -0.683299 -2.099166
H 3.393474 1.634192 1.922466
H 4.036304 -0.561552 -1.726016
H 4.949427 0.592909 0.281204
H -3.441842 1.725871 1.479717
H -4.474650 1.149372 0.099832
H -3.468398 2.653268 -0.064378


%chk=000245361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245361

0 1
O -2.680007 1.060107 -0.350336
O -1.014606 2.301156 0.715126
N -0.488264 0.314987 -0.478880
C -0.823379 -2.193470 -0.678326
C -1.026067 -0.800566 -1.316651
C -1.549737 -2.366435 0.674535
C 0.933364 0.358457 -0.216969
C -1.369948 -3.782843 1.260822
C -1.338114 1.301012 0.022459
C 1.458981 0.927564 0.975552
C 1.835502 -0.210057 -1.157251
C 2.850629 0.928415 1.206447
C 3.225375 -0.205141 -0.913563
C 3.745779 0.363562 0.269722
C -3.632260 2.080416 0.135336
H 0.256140 -2.400870 -0.545575
H -1.202866 -2.945214 -1.400834
H -2.098395 -0.608980 -1.456768
H -0.555210 -0.762240 -2.317193
H -2.628335 -2.146899 0.542977
H -1.163116 -1.617306 1.393132
H -0.299512 -4.010864 1.422596
H -1.887164 -3.885438 2.232315
H -1.777608 -4.552557 0.578103
H 0.786306 1.386599 1.700891
H 1.466450 -0.649151 -2.088301
H 3.234207 1.374684 2.130877
H 3.899828 -0.645308 -1.656726
H 4.824742 0.367691 0.457520
H -3.625101 2.123345 1.237428
H -4.609732 1.746224 -0.241568
H -3.370886 3.074524 -0.264297


