%chk=000299114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299114

0 1
O -0.507219 -0.319024 0.437580
O 2.690188 0.199056 1.930724
O 0.141791 0.812675 2.293881
N -4.638385 -0.810722 0.788110
C -2.723991 0.506715 -0.189911
C -4.217163 0.527646 0.258617
C -2.556267 -0.183545 -1.568702
C -2.201190 1.963295 -0.271489
C -1.922122 -0.303894 0.852109
C -3.229777 0.534015 -2.733238
C -2.196427 2.718228 1.053119
C -5.622480 -0.654225 1.901245
C -5.212860 -1.670563 -0.288080
C 1.869670 0.029033 0.764408
C 0.414027 0.228292 1.268250
C 2.259465 1.073450 -0.270507
C 2.132563 -1.380546 0.266109
C 3.613197 1.431389 -0.364026
C 1.459829 -1.854602 -0.869849
C 1.323645 1.654529 -1.132665
C 3.058864 -2.198846 0.925295
C 4.024357 2.366424 -1.316091
C 1.718165 -3.142509 -1.343532
C 1.739477 2.588335 -2.086397
C 3.312993 -3.487582 0.446452
C 3.088070 2.944882 -2.180211
C 2.645611 -3.959754 -0.687404
H -4.844334 0.880525 -0.586887
H -4.328754 1.294559 1.059749
H -1.473586 -0.304658 -1.777172
H -2.962497 -1.218898 -1.495877
H -1.163732 1.936674 -0.681073
H -2.802856 2.525597 -1.011540
H -2.180223 -1.379173 0.851659
H -2.014685 0.104113 1.872672
H -2.762048 1.502403 -2.944440
H -3.163966 -0.063040 -3.650470
H -4.293163 0.717337 -2.536389
H -1.483449 2.281969 1.771137
H -1.903508 3.764036 0.909341
H -3.182848 2.713199 1.532373
H -6.556989 -0.144139 1.627495
H -5.877851 -1.651401 2.295373
H -5.147049 -0.097887 2.725236
H -5.433175 -2.666373 0.127595
H -6.127232 -1.280864 -0.756996
H -4.447120 -1.806663 -1.077638
H 2.370647 0.968180 2.473046
H 4.335913 0.972721 0.315222
H 0.726696 -1.220377 -1.371192
H 0.258082 1.391732 -1.061755
H 3.576667 -1.825190 1.812849
H 5.075160 2.642851 -1.386510
H 1.196018 -3.510521 -2.224507
H 1.009451 3.038703 -2.756588
H 4.032356 -4.122614 0.960326
H 3.409742 3.671814 -2.923912
H 2.845603 -4.962866 -1.059323


%chk=000299114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299114

0 1
O -0.422262 -0.187297 0.353792
O 2.854363 0.334991 1.877627
O 0.302141 0.762214 2.355029
N -4.688942 -0.938014 0.515604
C -2.756210 0.615633 -0.166174
C -4.219588 0.466642 0.387718
C -2.642932 -0.030699 -1.584405
C -2.369663 2.128354 -0.213080
C -1.860941 -0.182751 0.806071
C -3.377814 0.700333 -2.730201
C -2.284042 2.878717 1.138042
C -4.995282 -1.354638 1.898432
C -5.751832 -1.318575 -0.434295
C 2.003958 0.074903 0.712834
C 0.535326 0.260605 1.222657
C 2.340581 1.092230 -0.406711
C 2.230384 -1.397788 0.292895
C 3.620057 1.701331 -0.383204
C 2.107495 -1.828148 -1.049260
C 1.450481 1.404563 -1.464640
C 2.546997 -2.347085 1.296450
C 4.000368 2.607659 -1.396842
C 2.291342 -3.188963 -1.382233
C 1.830970 2.316045 -2.475832
C 2.728619 -3.707057 0.963052
C 3.107531 2.920872 -2.447950
C 2.598848 -4.135044 -0.378308
H -4.895265 1.040926 -0.280606
H -4.274844 0.962441 1.377619
H -1.570303 -0.112830 -1.846804
H -3.018811 -1.069742 -1.501680
H -1.394980 2.222298 -0.731948
H -3.107440 2.647664 -0.856257
H -2.160570 -1.243964 0.793927
H -1.890674 0.219362 1.833089
H -2.940153 1.693968 -2.934209
H -3.306136 0.111094 -3.663030
H -4.453221 0.847231 -2.515535
H -1.516238 2.449607 1.805278
H -2.010737 3.935122 0.960331
H -3.248253 2.879732 1.678605
H -5.892642 -0.844377 2.330832
H -5.181000 -2.444063 1.925091
H -4.135703 -1.145567 2.559284
H -5.930578 -2.407837 -0.374948
H -6.725666 -0.800995 -0.241561
H -5.441317 -1.085204 -1.466875
H 2.300367 0.851244 2.529731
H 4.296374 1.459964 0.441286
H 1.883693 -1.106410 -1.839943
H 0.461568 0.937873 -1.500293
H 2.678145 -2.002359 2.326115
H 4.993548 3.070017 -1.364994
H 2.199424 -3.508048 -2.426681
H 1.128984 2.550218 -3.284438
H 2.978230 -4.429769 1.748320
H 3.402334 3.627039 -3.232380
H 2.743213 -5.189770 -0.638792


