%chk=000213182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213182

0 1
O 1.462449 0.262697 0.502388
O -1.864994 -0.234667 1.902424
O 0.581234 -1.464157 -0.708695
O -3.097332 1.690184 1.930488
N 2.676898 -1.675179 0.317114
N -3.849573 -0.202442 0.751709
C 0.191319 1.003104 0.394121
C -0.120565 1.502455 1.819489
C 0.428032 2.137987 -0.628551
C 3.063401 -2.820450 -0.562526
C 3.841707 -0.878524 0.801024
C 3.953559 -2.376886 -1.734113
C 4.737577 -0.402977 -0.354185
C 5.168105 -1.579857 -1.239860
C -0.791751 0.399415 2.654488
C -3.310708 -0.363119 -2.133591
C -2.510855 -1.192063 -1.122581
C -3.869095 0.918010 -1.498801
C -3.336153 -1.468800 0.141323
C -4.651918 0.617028 -0.210172
C 1.118699 2.016125 2.549968
C 1.501893 -0.995215 -0.063365
C -0.846562 2.975963 -0.769548
C 0.846787 1.558099 -1.982862
C -2.948573 0.550082 1.536532
H -0.602137 0.291255 0.028976
H -0.860754 2.349269 1.721967
H 1.254819 2.789061 -0.250324
H 2.138430 -3.317754 -0.937249
H 3.594427 -3.556117 0.081149
H 4.413888 -1.532109 1.496921
H 3.471429 -0.011069 1.394157
H 4.284374 -3.263662 -2.306337
H 3.361345 -1.763721 -2.442116
H 4.196194 0.349775 -0.960870
H 5.625559 0.116262 0.051421
H 5.850268 -2.245163 -0.675873
H 5.750431 -1.207453 -2.103820
H -0.131278 -0.469473 2.834545
H -1.204308 0.789432 3.599547
H -2.668100 -0.104568 -2.996648
H -4.140782 -0.970946 -2.542816
H -1.560386 -0.669215 -0.842402
H -2.175601 -2.144196 -1.574691
H -4.521872 1.448297 -2.215798
H -3.028907 1.619164 -1.274455
H -4.220859 -2.101341 -0.088474
H -2.727048 -2.016866 0.896771
H -4.965786 1.560599 0.292327
H -5.576369 0.040774 -0.433746
H 0.880644 2.352217 3.564869
H 1.565967 2.864482 2.018173
H 1.891154 1.238039 2.618060
H -1.698513 2.372389 -1.131603
H -0.704517 3.797187 -1.479432
H -1.152660 3.417964 0.189102
H 0.938302 2.341689 -2.741485
H 1.814998 1.048925 -1.911230
H 0.122367 0.820761 -2.352334


%chk=000213182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213182

0 1
O 1.628419 0.645605 0.350806
O -1.355619 -0.250298 1.529202
O 0.581668 -0.866762 -1.131808
O -3.194598 1.038361 2.237368
N 2.644902 -1.362908 -0.133058
N -3.393403 -0.539884 0.502005
C 0.472425 1.595137 0.228170
C -0.036312 1.878741 1.664241
C 0.948969 2.832574 -0.573084
C 2.722102 -2.698075 -0.764769
C 3.763646 -1.007891 0.766800
C 4.061301 -2.874708 -1.514531
C 5.119078 -1.159178 0.037329
C 5.261003 -2.567968 -0.586544
C -0.473537 0.580206 2.377685
C -4.583946 -0.893707 -2.135550
C -3.068298 -1.095196 -1.900519
C -5.161974 0.121763 -1.120106
C -2.772034 -1.502872 -0.438791
C -4.843590 -0.307075 0.330568
C 0.992518 2.612731 2.555231
C 1.543113 -0.564713 -0.367954
C -0.181702 3.887046 -0.677473
C 1.433688 2.421905 -1.983744
C -2.708636 0.154879 1.472510
H -0.313837 1.066532 -0.343700
H -0.940782 2.509439 1.563355
H 1.805763 3.285453 -0.033955
H 1.858784 -2.799652 -1.441149
H 2.634791 -3.473431 0.026875
H 3.744602 -1.686754 1.647437
H 3.613606 0.020308 1.124487
H 4.123887 -3.909429 -1.902551
H 4.079674 -2.192768 -2.387094
H 5.187665 -0.391951 -0.758803
H 5.938828 -0.966252 0.755761
H 5.300219 -3.325037 0.224781
H 6.212088 -2.648077 -1.145569
H 0.391465 -0.073791 2.574110
H -0.997882 0.824419 3.318878
H -4.773075 -0.553040 -3.171220
H -5.107009 -1.866228 -2.016871
H -2.522488 -0.158042 -2.124847
H -2.663919 -1.873377 -2.574924
H -6.258968 0.212870 -1.238268
H -4.724688 1.122814 -1.303623
H -3.194750 -2.511421 -0.241103
H -1.688048 -1.531857 -0.262763
H -5.150655 0.460610 1.058811
H -5.385067 -1.248261 0.566114
H 0.601356 2.735199 3.582224
H 1.220565 3.620927 2.167381
H 1.939076 2.044929 2.610266
H -1.089881 3.448985 -1.134836
H 0.142392 4.727638 -1.317809
H -0.463325 4.304340 0.305590
H 1.775382 3.309431 -2.547882
H 2.273850 1.708395 -1.927934
H 0.619496 1.940070 -2.556650


