%chk=000207242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207242

0 1
O 6.248113 -2.053096 0.203576
O -2.894235 1.875332 1.868953
N -0.606327 0.342237 -0.349075
N -3.416765 0.701958 -0.051865
C 1.845491 0.282008 -0.014522
C 1.196482 -0.787968 0.914101
C 0.704350 0.573652 -1.037675
C -0.325921 -0.719449 0.679194
C 2.187528 1.552709 0.802485
C 3.120110 -0.240562 -0.661689
C 2.775663 2.687133 -0.046230
C -1.129105 1.598306 0.270120
C 4.062164 -0.913112 0.139253
C 3.392361 -0.033334 -2.018858
C 2.997567 3.950169 0.781351
C -2.551194 1.403655 0.800291
C 5.241459 -1.377303 -0.449424
C 4.583744 -0.510436 -2.587840
C 5.520859 -1.188263 -1.819884
C -4.795237 0.409465 0.197355
C 6.091021 -2.309569 1.619523
C -5.468769 -0.384450 -0.756167
C -5.476614 0.891150 1.328546
C -6.817645 -0.683698 -0.566103
C -6.825975 0.577948 1.497383
C -7.501529 -0.206359 0.557029
H 1.573126 -1.797313 0.669001
H 1.447596 -0.615981 1.972251
H 0.739328 -0.150563 -1.882195
H 0.778514 1.587351 -1.471925
H -0.704036 -1.673482 0.252150
H -0.880187 -0.550683 1.621578
H 2.901205 1.290705 1.607676
H 1.269868 1.908421 1.318973
H 2.104742 2.910756 -0.899949
H 3.735601 2.360159 -0.496540
H -1.149610 2.403549 -0.500166
H -0.491427 1.985406 1.104833
H 3.872654 -1.057347 1.196659
H 2.692475 0.502654 -2.653414
H 2.062049 4.328084 1.209045
H 3.689180 3.772524 1.613135
H 3.425275 4.752963 0.169502
H 4.774268 -0.343661 -3.648820
H 6.448739 -1.567725 -2.238369
H -3.011262 0.284443 -0.900594
H 6.031049 -1.367854 2.172276
H 7.020914 -2.844364 1.854459
H 5.218871 -2.945044 1.796460
H -4.949234 -0.762233 -1.632642
H -4.954494 1.504490 2.070536
H -7.340842 -1.295335 -1.300526
H -7.355358 0.951373 2.374148
H -8.552600 -0.444116 0.697830


%chk=000207242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207242

0 1
O 5.709334 -2.566399 -0.526766
O -3.690129 2.833095 1.293356
N -0.611373 0.978017 0.435440
N -3.269131 0.738672 0.268265
C 1.788390 0.525117 0.219651
C 1.121342 -0.503668 1.195317
C 0.525379 1.048052 -0.537906
C -0.193952 0.177403 1.627822
C 2.449291 1.676915 1.058122
C 2.834602 -0.121217 -0.697843
C 3.152211 2.793167 0.252681
C -1.379443 2.199387 0.728754
C 3.757503 -1.057162 -0.156547
C 2.945062 0.229210 -2.065869
C 3.754482 3.876114 1.174539
C -2.910414 1.959623 0.806904
C 4.759917 -1.631417 -0.973136
C 3.950004 -0.351601 -2.876991
C 4.860125 -1.280777 -2.342767
C -4.553963 0.157178 0.123393
C 5.655735 -2.973822 0.878072
C -4.633856 -1.130766 -0.473967
C -5.742551 0.810168 0.550714
C -5.883959 -1.759663 -0.642108
C -6.986126 0.165791 0.375259
C -7.070126 -1.115345 -0.217828
H 0.912703 -1.445914 0.655286
H 1.757204 -0.742238 2.065976
H 0.316531 0.399614 -1.411576
H 0.653181 2.081589 -0.910254
H -0.970423 -0.557080 1.914442
H -0.031232 0.840089 2.507255
H 3.192749 1.218503 1.742572
H 1.671634 2.138316 1.700422
H 2.434429 3.269823 -0.445066
H 3.948984 2.351265 -0.374353
H -1.218656 2.947765 -0.069830
H -1.086976 2.678954 1.689291
H 3.682517 -1.332376 0.900043
H 2.258750 0.959464 -2.506407
H 2.972099 4.361104 1.788854
H 4.499656 3.438543 1.865603
H 4.261162 4.664776 0.589103
H 4.023758 -0.073381 -3.934204
H 5.643397 -1.741928 -2.951554
H -2.428754 0.218471 -0.048160
H 5.818013 -2.112558 1.555706
H 6.474789 -3.697885 0.998843
H 4.690515 -3.459967 1.121399
H -3.716578 -1.633528 -0.806301
H -5.671452 1.799667 1.007651
H -5.931741 -2.752022 -1.104506
H -7.898901 0.674019 0.706654
H -8.041715 -1.603860 -0.348254


