%chk=000211623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211623

0 1
O -1.959420 1.107138 -1.003541
O -0.685023 -0.682276 -0.480848
N -4.946858 -0.869775 -0.008355
N 1.969686 -0.207830 -0.034656
N 2.656200 2.080038 -0.118675
C -3.665899 -0.133530 0.223346
C -4.709055 -2.351907 -0.070825
C -5.989019 -0.519185 1.011766
C -3.122683 0.231982 -1.164156
C -5.866475 -3.032372 -0.802655
C -6.514490 0.894999 0.761690
C 0.307643 1.509988 -0.547934
C -0.764148 0.524701 -0.659419
C 1.655127 1.122941 -0.233230
C 0.035965 2.879903 -0.744383
C 3.242936 -0.773235 0.316268
C 1.044267 3.822943 -0.626239
C 3.200482 -2.025197 0.969556
C 4.474620 -0.180324 0.000562
C 2.344998 3.373001 -0.307975
C 4.392996 -2.664147 1.304328
C 5.657971 -0.837140 0.349700
C 5.624960 -2.074036 0.998425
H -3.836309 0.796412 0.808197
H -2.904977 -0.715982 0.788223
H -4.567831 -2.807438 0.932964
H -3.765326 -2.533234 -0.634027
H -6.828999 -1.243303 0.904988
H -5.619333 -0.613686 2.055448
H -2.833037 -0.650022 -1.758914
H -3.807031 0.884328 -1.735866
H -6.797048 -2.996434 -0.225219
H -6.067796 -2.537323 -1.762636
H -5.637256 -4.083144 -1.007285
H -5.753546 1.658796 0.957520
H -6.826741 1.016053 -0.284667
H -7.378734 1.111012 1.397795
H 1.178237 -0.889645 -0.086413
H -0.988547 3.182639 -0.990300
H 0.849859 4.880355 -0.772538
H 2.248206 -2.490938 1.216771
H 4.520634 0.786001 -0.505708
H 3.177670 4.083252 -0.200381
H 4.363393 -3.629067 1.809696
H 6.615231 -0.374958 0.108616
H 6.551399 -2.577053 1.264983


%chk=000211623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211623

0 1
O -1.977431 1.312535 -0.985938
O -0.655601 -0.547591 -0.519873
N -4.896504 -0.810545 0.162008
N 1.958217 -0.109104 -0.069436
N 2.743395 2.137149 -0.173423
C -3.801154 0.177528 0.295220
C -4.418276 -2.216386 0.290641
C -6.090672 -0.507801 0.993420
C -3.161639 0.404527 -1.088338
C -5.290454 -3.221982 -0.484175
C -6.920705 0.667729 0.443896
C 0.354738 1.671679 -0.579022
C -0.760288 0.712641 -0.680098
C 1.708903 1.232730 -0.269481
C 0.134462 3.056947 -0.781908
C 3.154799 -0.806679 0.243275
C 1.200143 3.969540 -0.683583
C 3.031617 -2.220068 0.381136
C 4.428585 -0.200045 0.421550
C 2.481762 3.451135 -0.375823
C 4.155475 -3.009721 0.690307
C 5.545005 -1.006864 0.731341
C 5.424285 -2.408490 0.868516
H -4.204444 1.135670 0.667131
H -3.017930 -0.152557 1.015472
H -4.351902 -2.520825 1.365320
H -3.386560 -2.259088 -0.105580
H -6.726851 -1.411408 1.003599
H -5.808481 -0.308206 2.058020
H -2.840243 -0.551951 -1.533879
H -3.853605 0.929209 -1.763528
H -6.333321 -3.232534 -0.118487
H -5.309916 -2.962509 -1.557012
H -4.887277 -4.245978 -0.373880
H -6.337500 1.606459 0.414910
H -7.259755 0.445631 -0.582900
H -7.807432 0.846105 1.080443
H 1.104222 -0.690052 -0.171397
H -0.879517 3.391390 -1.016189
H 1.054459 5.041686 -0.837110
H 2.050839 -2.692948 0.243920
H 4.515286 0.881317 0.313890
H 3.346449 4.120059 -0.285985
H 4.040475 -4.094728 0.791765
H 6.522016 -0.528357 0.866325
H 6.299228 -3.021948 1.108940


