%chk=000227946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227946

0 1
O -1.691663 -1.701302 -1.435347
O -2.647446 -2.912898 0.184747
O -4.472845 1.354301 0.647075
N -2.627237 0.598860 -0.451537
C -1.120736 -0.263808 1.365889
C 0.159870 -0.109138 0.539838
C -2.389961 -0.481220 0.519188
C 1.409482 -0.167166 1.431743
C 2.654683 0.029688 0.609291
C -2.293948 -1.828116 -0.202550
C 3.291637 -1.072170 0.017748
C 3.182002 1.316588 0.421811
C -3.714478 1.474666 -0.298109
C 4.444890 -0.886649 -0.748996
C 4.335761 1.496373 -0.345835
C 4.969797 0.396638 -0.932506
C -3.834928 2.520092 -1.367023
H -1.020470 -1.109219 2.078842
H -1.271982 0.638129 1.996158
H 0.218890 -0.898234 -0.238800
H 0.144438 0.851591 -0.011890
H -3.286053 -0.540415 1.218190
H 1.345774 0.601661 2.228620
H 1.451282 -1.137271 1.968346
H -1.970321 0.666845 -1.224679
H 2.888213 -2.073098 0.156101
H 2.693923 2.176599 0.875106
H 4.936617 -1.744924 -1.204136
H 4.742455 2.496533 -0.486284
H 5.868496 0.538544 -1.528392
H -4.719455 3.151343 -1.173889
H -2.965057 3.189454 -1.400501
H -3.965272 2.085013 -2.367312
H -1.630556 -2.567088 -1.922108


%chk=000227946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227946

0 1
O -2.285621 -1.776219 -1.833016
O -2.206543 -3.106262 0.069817
O -3.664668 1.730898 1.154025
N -2.731785 0.468101 -0.552878
C -1.207429 -0.460768 1.244314
C 0.113352 -0.295926 0.466679
C -2.461811 -0.670011 0.335497
C 1.310490 -0.004657 1.413935
C 2.620686 0.154841 0.656473
C -2.319937 -1.973765 -0.439716
C 3.424052 -0.974460 0.350293
C 3.047214 1.428592 0.198832
C -3.346745 1.612192 -0.069863
C 4.617749 -0.837664 -0.393738
C 4.240180 1.571601 -0.545685
C 5.029955 0.437483 -0.846182
C -3.605966 2.696555 -1.114092
H -1.141896 -1.326003 1.931370
H -1.411559 0.436774 1.856313
H 0.336170 -1.212310 -0.116308
H 0.021284 0.531662 -0.263635
H -3.327625 -0.782872 1.018317
H 1.087761 0.913861 1.991562
H 1.391457 -0.832563 2.145691
H -2.526022 0.358370 -1.547600
H 3.114252 -1.965977 0.704670
H 2.443316 2.314204 0.434654
H 5.227731 -1.721052 -0.615286
H 4.556315 2.564553 -0.885823
H 5.957067 0.546687 -1.420126
H -4.108502 3.544308 -0.626597
H -2.659783 3.051583 -1.562392
H -4.249976 2.320039 -1.930005
H -2.167363 -2.651596 -2.290705


