%chk=000269357.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269357

0 1
O -3.608667 2.369664 -0.011117
O 3.608537 2.370007 0.011616
N -3.320819 0.552286 1.347402
N 3.320826 0.552863 -1.347247
C -4.777745 0.387818 1.572742
C 4.777761 0.388556 -1.572646
C -1.370855 1.529789 0.247156
C 1.370794 1.529973 -0.246794
C -5.378034 -0.590775 0.590569
C 5.378141 -0.590195 -0.590685
C -2.855037 1.546540 0.479296
C 2.854974 1.546912 -0.478946
C -0.472663 1.540214 1.321414
C 0.902444 1.544293 1.073525
C -0.902504 1.544660 -1.073158
C 0.472602 1.540763 -1.321049
C -5.597323 -0.188731 -0.735821
C 5.597418 -0.188410 0.735786
C -5.714997 -1.889543 0.992494
C 5.715200 -1.888853 -0.992885
C -6.153696 -1.083125 -1.652331
C 6.153875 -1.082951 1.652102
C -6.273471 -2.781069 0.070661
C 6.273757 -2.780528 -0.071246
C -6.493063 -2.380169 -1.250434
C 6.493338 -2.379885 1.249930
H -5.275766 1.386841 1.470256
H -4.934837 0.064216 2.625933
H 5.275707 1.387596 -1.469960
H 4.934863 0.065185 -2.625907
H -2.740111 -0.245592 1.585506
H 2.740172 -0.245003 -1.585522
H -0.841314 1.562998 2.347829
H 1.612395 1.572866 1.902952
H -1.612460 1.573517 -1.902572
H 0.841255 1.563968 -2.347454
H -5.329302 0.826022 -1.043397
H 5.329324 0.826259 1.043576
H -5.548839 -2.208477 2.019156
H 5.549051 -2.207587 -2.019610
H -6.325970 -0.769218 -2.680778
H 6.326140 -0.769244 2.680611
H -6.538342 -3.789273 0.384491
H 6.538702 -3.788646 -0.385289
H -6.929072 -3.074951 -1.965674
H 6.929412 -3.074781 1.965019


%chk=000269357-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269357

0 1
O -3.208220 1.722624 -1.883872
O 3.208124 1.722496 1.884282
N -3.762212 1.021971 0.265058
N 3.762166 1.022301 -0.264784
C -5.212968 0.997472 0.008800
C 5.212924 0.997880 -0.008538
C -1.393354 1.398075 -0.300385
C 1.393280 1.398112 0.300737
C -5.842073 -0.360585 0.300272
C 5.842161 -0.360046 -0.300338
C -2.847973 1.401651 -0.705525
C 2.847898 1.401708 0.705878
C -0.945332 1.412591 1.047273
C 0.431164 1.416311 1.341574
C -0.431240 1.416522 -1.341218
C 0.945256 1.412840 -1.046917
C -5.302543 -1.542294 -0.270937
C 5.302705 -1.541956 0.270522
C -6.989057 -0.459877 1.125258
C 6.989205 -0.459013 -1.125281
C -5.901655 -2.796182 -0.023468
C 5.901946 -2.795723 0.022755
C -7.592960 -1.714589 1.372552
C 7.593238 -1.713603 -1.372872
C -7.050151 -2.886651 0.799200
C 7.050501 -2.885868 -0.799865
H -5.327179 1.270891 -1.057114
H -5.715121 1.781510 0.608951
H 5.327114 1.271056 1.057441
H 5.715001 1.782110 -0.608502
H -3.432546 0.677075 1.167274
H 3.432528 0.677572 -1.167074
H -1.658253 1.458301 1.879260
H 0.794151 1.448736 2.373739
H -0.794228 1.449110 -2.373377
H 1.658174 1.458744 -1.878897
H -4.416423 -1.472748 -0.913036
H 4.416541 -1.472662 0.912587
H -7.413187 0.447153 1.574491
H 7.413279 0.448175 -1.574247
H -5.478584 -3.701456 -0.473372
H 5.478930 -3.701156 0.472392
H -8.480679 -1.776928 2.011977
H 8.481001 -1.775691 -2.012260
H -7.515463 -3.860018 0.990555
H 7.515914 -3.859141 -0.991451


