%chk=000218976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218976

0 1
O 0.260881 -1.488659 2.323925
O 1.137025 -0.041664 -0.245253
N -2.468706 -0.121476 0.505298
C -2.574587 0.313583 -0.933765
C -3.661183 0.358169 1.287730
C -4.034776 0.846108 -1.087925
C -4.769591 0.479049 0.204972
C -1.160049 -0.000891 1.188866
C -1.573743 1.399985 -1.357702
C -2.371652 -0.939220 -1.809856
C -3.441891 1.723390 1.971208
C -4.015917 -0.702322 2.340874
C -0.418503 -1.348514 1.054904
C 0.598175 -1.388567 -0.098541
C 2.472043 -0.004046 -0.660014
C 2.725135 0.236840 -2.025343
C 3.503267 -0.094818 0.294174
C 4.058266 0.371535 -2.436326
C 4.826098 0.042533 -0.154972
C 1.600104 0.355106 -2.997002
C 3.207320 -0.310967 1.737685
C 5.096684 0.268971 -1.506260
H -4.531449 0.414778 -1.970463
H -4.040869 1.938649 -1.240015
H -5.529160 1.226472 0.476620
H -5.303199 -0.480682 0.089429
H -0.521104 0.828621 0.811174
H -1.293714 0.199593 2.279083
H -0.532371 1.023232 -1.348782
H -1.779416 1.752057 -2.372281
H -1.605163 2.268065 -0.692227
H -1.346846 -1.327686 -1.719626
H -3.050796 -1.741791 -1.499664
H -2.555294 -0.722324 -2.864702
H -4.348967 2.062013 2.479886
H -2.648209 1.679928 2.724371
H -3.162356 2.491269 1.242902
H -4.957070 -0.464382 2.843217
H -4.112788 -1.693851 1.882395
H -3.237180 -0.786278 3.107246
H -1.136032 -2.196841 0.954028
H 0.086022 -1.608065 -1.062107
H 1.405437 -2.113670 0.081241
H 0.670479 -2.367876 2.403195
H 4.284052 0.558132 -3.483738
H 5.644369 -0.022781 0.559023
H 1.748500 1.187992 -3.696248
H 1.487982 -0.560904 -3.591568
H 0.638336 0.534697 -2.474418
H 3.600843 0.510276 2.352603
H 2.116360 -0.352861 1.936685
H 3.647239 -1.243148 2.110950
H 6.128662 0.372143 -1.838886


%chk=000218976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218976

0 1
O 0.679952 -0.995950 2.198618
O 1.119507 -0.146768 -0.667754
N -2.376073 0.277088 0.452426
C -2.572280 1.353490 -0.593699
C -3.677507 -0.105008 1.096578
C -4.128342 1.396249 -0.767776
C -4.656723 0.115299 -0.086456
C -1.144713 0.243953 1.252106
C -2.046919 2.756253 -0.169303
C -1.876765 0.945991 -1.920514
C -4.066174 0.800837 2.308896
C -3.677630 -1.581354 1.557597
C -0.336747 -1.074068 1.127218
C 0.285739 -1.300315 -0.256175
C 2.505500 -0.387934 -0.884379
C 2.931463 -1.230603 -1.949653
C 3.424069 0.323717 -0.062281
C 4.325655 -1.397955 -2.144487
C 4.807473 0.128324 -0.297541
C 1.933287 -1.885831 -2.889165
C 2.927925 1.264922 1.017005
C 5.260263 -0.734195 -1.320841
H -4.409461 1.456389 -1.833674
H -4.540071 2.292691 -0.267943
H -5.704289 0.209075 0.251257
H -4.590994 -0.747381 -0.775687
H -0.465557 1.060086 0.953125
H -1.344282 0.381475 2.335578
H -0.942312 2.795193 -0.144670
H -2.383635 3.515278 -0.900041
H -2.429812 3.042775 0.826977
H -0.788513 0.823991 -1.773525
H -2.294036 -0.007168 -2.294893
H -2.031046 1.722335 -2.694775
H -5.013618 0.453903 2.761894
H -3.290934 0.767774 3.096639
H -4.197322 1.853932 2.003847
H -4.694946 -1.879963 1.872830
H -3.359169 -2.241269 0.730687
H -3.003731 -1.741435 2.420014
H -1.006908 -1.940340 1.315104
H -0.533406 -1.408428 -0.990470
H 0.898945 -2.224576 -0.256491
H 1.321117 -1.745052 2.100484
H 4.673920 -2.040314 -2.962460
H 5.531254 0.661047 0.330752
H 2.414391 -2.138227 -3.849569
H 1.514393 -2.823786 -2.475582
H 1.083098 -1.210192 -3.091779
H 2.421670 2.142815 0.572655
H 2.184953 0.766022 1.665443
H 3.765741 1.629723 1.636291
H 6.334297 -0.873615 -1.486436


