%chk=000216014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216014

0 1
O 2.974614 -2.313279 1.284020
O 2.676025 2.167261 -1.150231
N 1.174058 -0.058680 0.489082
N -0.777570 -0.979433 -0.562560
N -2.053677 -1.107555 -0.691403
N -4.330924 -0.702607 -0.056043
N -5.181745 0.442010 -0.305736
C 1.986404 -0.898924 -0.441158
C 1.820153 1.209173 0.913262
C 2.093086 -2.330543 0.141334
C 1.699372 2.366195 -0.109640
C -0.225383 -0.051043 0.316481
C 2.758477 -3.285170 -0.838745
C 2.075408 3.703867 0.511181
C -1.085613 0.779935 1.087832
C -2.456501 0.626412 0.954460
C -2.938193 -0.345965 0.044487
H 1.543938 -0.945532 -1.461740
H 3.008091 -0.469078 -0.545598
H 1.394158 1.514745 1.894792
H 2.901888 1.002845 1.100892
H 1.098685 -2.704758 0.474888
H 0.687067 2.396480 -0.570426
H 2.949434 -4.253053 -0.352383
H 3.734587 -2.913765 -1.173709
H 2.130661 -3.466732 -1.717562
H 2.094176 4.489356 -0.259150
H 3.087722 3.678777 0.937683
H 1.375860 4.012084 1.292938
H -0.676902 1.511382 1.782007
H 2.598406 -1.750245 1.988468
H 2.358866 1.513800 -1.802085
H -3.144949 1.232882 1.540022
H -4.467888 -1.374805 -0.844672
H -5.114172 1.077874 0.498095
H -6.150720 0.093388 -0.290184


%chk=000216014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216014

0 1
O 2.622843 -1.929133 1.470394
O 2.397335 2.341495 -1.355637
N 1.081352 0.106397 0.012449
N -0.842787 -1.082424 -0.657553
N -2.196867 -1.271700 -0.710548
N -4.393274 -0.699233 -0.192910
N -5.379367 0.090642 0.400727
C 1.887665 -0.925096 -0.687341
C 1.780295 1.179127 0.746857
C 2.059657 -2.228597 0.131270
C 1.806876 2.530411 -0.017679
C -0.316467 -0.002929 0.027827
C 3.043302 -3.188234 -0.540575
C 2.673285 3.572165 0.693391
C -1.169136 0.931860 0.704874
C -2.549159 0.729661 0.662163
C -3.036017 -0.394333 -0.067207
H 1.398451 -1.177664 -1.645363
H 2.883779 -0.490091 -0.886602
H 1.331051 1.329247 1.750467
H 2.821282 0.847673 0.903333
H 1.065395 -2.706154 0.239368
H 0.768192 2.913337 -0.128251
H 3.128754 -4.118848 0.045036
H 4.046328 -2.728591 -0.604272
H 2.703164 -3.443982 -1.560361
H 2.682456 4.513197 0.118521
H 3.713718 3.210718 0.775950
H 2.288283 3.782469 1.708149
H -0.762499 1.791720 1.243090
H 1.933396 -1.440870 1.989006
H 1.854681 1.662664 -1.835614
H -3.258626 1.398397 1.155290
H -4.616512 -1.530888 -0.749907
H -5.876025 -0.339373 1.185513
H -5.957906 0.634259 -0.244954


