%chk=000249175.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249175

0 1
O -4.452371 -2.705865 0.011208
O -4.467392 -0.951410 -1.242043
O 0.973466 -3.703976 -3.037602
O 0.839947 0.774125 2.364156
O 2.135189 -5.364664 -2.313400
O 2.905040 0.438008 2.871859
N -1.550547 -0.124689 -1.585775
N -1.873467 2.218457 -0.874679
N -0.763412 -0.899761 -0.821672
N -0.573528 2.563498 -0.717052
N -4.185766 -1.536916 -0.201196
N 1.569569 -4.293711 -2.146175
N 2.034662 1.006529 2.227519
C -2.431574 0.818532 -0.811324
C -2.702410 0.360955 0.622958
C -3.510287 -0.774629 0.870031
C -2.195443 1.044441 1.734506
C -2.077992 -0.562130 -2.907846
C -2.473465 3.017100 -1.993402
C -3.728694 -1.244630 2.177542
C -2.422623 0.587050 3.037307
C -3.181142 -0.564592 3.262893
C -0.162910 -1.980320 -1.256543
C 0.304113 1.862382 -0.050115
C 0.830353 -2.616191 -0.373517
C 1.635664 2.450852 0.183567
C 1.635712 -3.698519 -0.798719
C 2.459776 2.020235 1.248686
C 1.009123 -2.144639 0.945385
C 2.145172 3.437949 -0.685847
C 2.579257 -4.278387 0.078661
C 3.755118 2.553484 1.420902
C 1.955010 -2.705608 1.796854
C 3.417149 3.971408 -0.503640
C 2.743872 -3.782799 1.364699
C 4.229691 3.526486 0.551238
H -3.448011 0.861522 -1.329582
H -1.600313 1.954318 1.610354
H -2.928322 -1.265121 -2.825061
H -2.411444 0.317473 -3.480755
H -1.279757 -1.047919 -3.497680
H -2.264366 2.596846 -2.989227
H -3.562360 3.081557 -1.836164
H -2.075401 4.049399 -1.973146
H -4.329333 -2.148362 2.334110
H -1.989658 1.132283 3.879814
H -3.342896 -0.930310 4.277141
H -0.320624 -2.447146 -2.244796
H 0.151360 0.849955 0.369781
H 0.388989 -1.314612 1.309194
H 1.518877 3.785409 -1.513117
H 3.181968 -5.125587 -0.271960
H 4.378696 2.188680 2.245592
H 2.087619 -2.299384 2.804229
H 3.789155 4.738083 -1.186444
H 3.480193 -4.225199 2.034865
H 5.228468 3.941561 0.684426


%chk=000249175-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249175

0 1
O -4.137611 -3.003936 0.254538
O -4.017717 -1.381023 -1.333760
O 0.993685 -3.807138 -3.090604
O 1.024964 0.674617 2.273457
O 2.174110 -5.605726 -2.373437
O 3.255062 0.355719 2.580103
N -1.466733 -0.193952 -1.507404
N -1.893081 2.181210 -1.011238
N -0.721789 -0.997591 -0.696373
N -0.644151 2.668239 -0.747561
N -3.874125 -1.797445 -0.113539
N 1.582387 -4.477030 -2.146242
N 2.264473 0.963033 2.007986
C -2.374308 0.769164 -0.859721
C -2.739011 0.376717 0.583784
C -3.425726 -0.828601 0.917066
C -2.434161 1.248818 1.653460
C -1.496163 -0.331516 -2.973915
C -2.818072 3.139583 -1.643089
C -3.752285 -1.164176 2.250223
C -2.765719 0.933503 2.988622
C -3.420205 -0.280132 3.293090
C 0.010650 -1.970293 -1.231466
C 0.259592 1.953817 -0.079456
C 0.857288 -2.784248 -0.348932
C 1.587000 2.544882 0.123558
C 1.597335 -3.945316 -0.762382
C 2.563544 2.043016 1.047394
C 0.985666 -2.411944 1.026798
C 1.994922 3.656506 -0.679026
C 2.407309 -4.673760 0.148482
C 3.872270 2.585445 1.127804
C 1.797581 -3.121177 1.923013
C 3.276370 4.217946 -0.579901
C 2.514519 -4.265380 1.485496
C 4.231946 3.673761 0.319883
H -3.314129 0.742599 -1.440690
H -1.916571 2.187519 1.442578
H -1.928147 -1.306442 -3.271043
H -2.116177 0.473349 -3.396511
H -0.476385 -0.245764 -3.394220
H -3.064933 2.848028 -2.683131
H -3.760325 3.216383 -1.068765
H -2.325072 4.121687 -1.654934
H -4.263522 -2.111238 2.441440
H -2.497335 1.631379 3.787928
H -3.672262 -0.534709 4.327024
H 0.022774 -2.202292 -2.298941
H 0.059826 0.960448 0.330705
H 0.441080 -1.528569 1.369373
H 1.264843 4.047657 -1.393243
H 2.940637 -5.550767 -0.225492
H 4.573666 2.143616 1.839896
H 1.883060 -2.775114 2.957849
H 3.545282 5.071079 -1.212259
H 3.153661 -4.821918 2.178000
H 5.237913 4.098973 0.388721


