%chk=000200747.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200747

0 1
O -5.870786 0.215137 -0.521430
O 5.929771 -0.116395 0.674906
C -1.683581 -1.007634 0.526079
C -2.491491 0.245946 0.059591
C -0.324376 -1.077992 -0.183352
C 0.489126 0.187034 0.213682
C 1.893587 0.205080 -0.475621
C -1.715526 1.487701 0.535033
C -3.858717 -0.001043 0.777728
C -0.299176 1.486935 -0.065519
C -2.681158 -2.165435 0.363203
C 0.448895 -2.341496 0.224023
C -4.050283 -1.540441 0.718871
C 2.612558 -1.122029 -0.225888
C -2.711643 0.300592 -1.459136
C 1.823133 -2.382526 -0.448654
C 2.711546 1.372182 0.140184
C 1.784155 0.382131 -2.000644
C -5.012206 0.755523 0.139425
C 4.205898 1.318177 -0.205597
C 3.911487 -1.190817 0.107302
C 4.795181 -0.016821 0.257238
C -5.041072 2.237584 0.401266
C 4.962888 2.492584 0.409886
H -1.482094 -0.902151 1.623919
H -0.477954 -1.086556 -1.289328
H 0.669032 0.131807 1.317603
H -1.657752 1.507896 1.639125
H -2.249500 2.413899 0.244860
H -3.778604 0.317184 1.842363
H -0.367843 1.655825 -1.158331
H 0.260356 2.352486 0.338492
H -2.438888 -3.013949 1.020832
H -2.681276 -2.557741 -0.667487
H -0.128226 -3.245104 -0.050600
H 0.567693 -2.383708 1.324412
H -4.813815 -1.806160 -0.038576
H -4.426333 -1.919614 1.681553
H -1.770210 0.187909 -2.009408
H -3.379289 -0.502381 -1.798643
H -3.161662 1.248061 -1.771774
H 1.708074 -2.535009 -1.544385
H 2.382660 -3.271841 -0.090375
H 2.594879 1.363885 1.242603
H 2.294914 2.340101 -0.197712
H 2.760883 0.278574 -2.487517
H 1.112579 -0.361341 -2.445322
H 1.394682 1.372134 -2.262724
H 4.331201 1.352474 -1.319220
H 4.413057 -2.142879 0.291892
H -5.400100 2.452438 1.415976
H -4.048763 2.699601 0.296266
H -5.726418 2.747221 -0.291794
H 6.048371 2.364823 0.276125
H 4.675209 3.444769 -0.044811
H 4.793829 2.567573 1.490612


%chk=000200747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200747

0 1
O -5.852098 0.458474 -0.579704
O 5.951554 -0.095074 1.045403
C -1.706500 -0.977297 0.383059
C -2.524302 0.271831 -0.083394
C -0.317563 -1.094658 -0.278248
C 0.500230 0.198783 0.038982
C 1.971044 0.183506 -0.556233
C -1.712128 1.533176 0.293314
C -3.849621 0.026309 0.755160
C -0.288040 1.487825 -0.328926
C -2.705608 -2.151882 0.258101
C 0.441677 -2.341653 0.226444
C -4.083212 -1.517306 0.647211
C 2.652724 -1.133816 -0.147278
C -2.847209 0.255980 -1.601293
C 1.869111 -2.414269 -0.367278
C 2.759639 1.394200 0.031959
C 1.962678 0.266394 -2.116762
C -5.047278 0.864403 0.304010
C 4.297360 1.308445 -0.120043
C 3.922992 -1.176578 0.368297
C 4.808963 -0.002211 0.498986
C -5.235585 2.220293 0.975441
C 5.014124 2.544427 0.457626
H -1.520567 -0.826303 1.472817
H -0.448389 -1.192611 -1.376810
H 0.629459 0.205183 1.147214
H -1.625634 1.595114 1.398900
H -2.221588 2.456453 -0.047710
H -3.614014 0.305946 1.803078
H -0.374874 1.576798 -1.428410
H 0.271002 2.377981 0.014293
H -2.441883 -2.998688 0.915808
H -2.726502 -2.538984 -0.778413
H -0.113025 -3.261544 -0.038474
H 0.504181 -2.307264 1.333942
H -4.856738 -1.717651 -0.114152
H -4.457615 -1.915889 1.607014
H -1.936083 0.159435 -2.215874
H -3.528174 -0.569389 -1.868714
H -3.349988 1.194277 -1.899592
H 1.779888 -2.596348 -1.459866
H 2.423981 -3.273745 0.051126
H 2.525728 1.480065 1.113910
H 2.412975 2.329517 -0.446400
H 2.986981 0.169486 -2.518762
H 1.352371 -0.532836 -2.572381
H 1.558768 1.236851 -2.454927
H 4.541100 1.241768 -1.203986
H 4.361065 -2.133210 0.682786
H -5.606522 2.066032 2.008382
H -4.278038 2.765298 1.059407
H -5.972131 2.825055 0.423533
H 6.107970 2.413922 0.412328
H 4.736924 3.455855 -0.102967
H 4.743320 2.694331 1.519266


