%chk=000271412.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271412

0 1
O 4.691588 2.022687 -0.430673
O -6.382945 -1.559361 0.397224
N 3.673901 0.875265 1.264827
C 4.098000 -1.557331 0.794566
C 4.684617 -0.209024 1.245578
C 2.533523 2.832118 0.260737
C 1.194525 2.158197 0.316801
C -1.323176 0.911750 0.399661
C 3.427773 -1.535129 -0.553032
C 3.715888 1.878427 0.289217
C 0.224466 2.587876 1.233537
C 0.898717 1.102630 -0.560838
C -2.645489 0.256013 0.442426
C -1.027165 1.969463 1.273505
C -0.349092 0.482478 -0.517887
C 2.263972 -2.296348 -0.751675
C 3.954946 -0.793972 -1.621238
C -3.430456 0.176152 -0.726457
C -3.128491 -0.289521 1.638898
C 1.640126 -2.315060 -2.001814
C 3.327130 -0.815790 -2.869064
C -4.675566 -0.436963 -0.701272
C -4.378319 -0.915402 1.689539
C -5.138553 -0.981110 0.516419
C 2.169545 -1.575908 -3.064025
C -6.971763 -2.150029 1.580572
H 4.918411 -2.308967 0.765305
H 3.392838 -1.929355 1.566694
H 5.104330 -0.306290 2.272505
H 5.531552 0.093076 0.579744
H 2.603815 3.435953 -0.676659
H 2.657327 3.573606 1.079669
H 2.794809 0.652714 1.726820
H 0.439129 3.409392 1.914599
H 1.648621 0.757356 -1.277326
H -1.780482 2.315240 1.980183
H -0.564969 -0.344419 -1.194805
H 1.841937 -2.875010 0.066972
H 4.847543 -0.178676 -1.478306
H -3.056049 0.606991 -1.656217
H -2.522502 -0.232529 2.543646
H -5.299077 -0.506478 -1.589712
H -4.735184 -1.335075 2.623244
H 0.739848 -2.909484 -2.148113
H 3.743887 -0.235626 -3.691740
H 1.684914 -1.593103 -4.037353
H -7.126531 -1.387838 2.349432
H -7.931162 -2.517777 1.193168
H -6.352805 -2.976210 1.941515


%chk=000271412-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271412

0 1
O 4.713216 2.279154 0.136684
O -6.868402 -1.466622 0.859105
N 3.280200 0.672589 1.026921
C 4.088669 -1.678954 0.637105
C 4.334193 -0.310406 1.314711
C 2.314225 2.790361 0.147825
C 0.944734 2.149613 0.288401
C -1.657099 0.933202 0.536987
C 3.973296 -1.667167 -0.886630
C 3.539731 1.890373 0.431668
C 0.091730 2.457634 1.379341
C 0.475224 1.216700 -0.675735
C -3.005436 0.311623 0.655046
C -1.182893 1.865446 1.501047
C -0.794993 0.620443 -0.552556
C 3.249459 -2.704147 -1.531911
C 4.595014 -0.677413 -1.691535
C -3.753400 -0.049346 -0.503909
C -3.597126 0.057437 1.919832
C 3.155788 -2.763933 -2.940106
C 4.501397 -0.733848 -3.101526
C -5.025569 -0.634406 -0.404254
C -4.875182 -0.530033 2.040782
C -5.595080 -0.879054 0.871137
C 3.785042 -1.776216 -3.733073
C -7.506664 -1.727006 2.151715
H 4.928640 -2.340836 0.936098
H 3.176767 -2.142764 1.064903
H 4.415631 -0.466106 2.408930
H 5.282069 0.144682 0.979960
H 2.469887 3.174107 -0.877099
H 2.409746 3.664128 0.819545
H 2.303274 0.412388 1.184752
H 0.423398 3.183727 2.131812
H 1.116367 0.949893 -1.525171
H -1.831721 2.159047 2.333972
H -1.112330 -0.116186 -1.299055
H 2.754415 -3.472907 -0.924085
H 5.143233 0.150818 -1.228041
H -3.345310 0.160284 -1.498760
H -3.040265 0.293527 2.833833
H -5.602259 -0.899690 -1.295496
H -5.287849 -0.717220 3.036718
H 2.593375 -3.575582 -3.416074
H 4.987795 0.041212 -3.704863
H 3.715562 -1.817227 -4.826003
H -7.657876 -0.789816 2.722090
H -8.481484 -2.172829 1.905906
H -6.913237 -2.439072 2.757853


