%chk=000217704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217704

0 1
O 1.585932 -1.224680 0.731927
O 0.653133 -3.675716 -1.139680
O 3.126594 -3.304155 -1.248323
O 2.873673 0.624847 -1.731211
N -0.409614 -0.435442 -0.264000
N 3.328099 1.217673 0.417382
N -1.116930 1.609013 -1.058041
N -2.237972 -0.824388 1.416137
N -3.880195 0.992634 1.457326
N -3.720020 2.910851 0.082019
C 0.918153 -2.283302 -1.324902
C 0.415747 -1.623536 -0.013285
C 2.459963 -2.061659 -1.350294
C 2.749391 -1.161055 -0.123439
C 2.979176 0.301349 -0.547911
C -1.579839 -0.113720 0.445769
C -0.174502 0.674449 -1.158674
C -2.012741 1.156274 -0.069940
C 3.550401 2.630989 0.035526
C 3.346913 0.903728 1.861517
C -3.210421 1.703255 0.478414
C -3.367011 -0.209611 1.865747
H 0.406497 -1.921913 -2.239150
H -0.121760 -2.335866 0.673408
H 2.842224 -1.625217 -2.304457
H 3.580822 -1.555622 0.501231
H 0.963705 -4.181844 -1.931780
H 2.748164 -3.843568 -0.501927
H 0.693731 0.699264 -1.818399
H 3.568244 2.730555 -1.069985
H 4.516564 2.987174 0.427176
H 2.741669 3.277459 0.415916
H 3.249560 1.819241 2.468373
H 4.292919 0.408608 2.140019
H 2.501116 0.241966 2.139860
H -3.940410 -0.735364 2.649337
H -4.584778 3.256612 0.466973
H -3.271897 3.433414 -0.655061


%chk=000217704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217704

0 1
O 1.531245 -0.959105 0.912285
O 0.391939 -3.273915 -1.528551
O 2.739031 -3.485770 -0.304886
O 2.861727 0.487084 -1.719641
N -0.525170 -0.284129 -0.179536
N 3.730446 1.209588 0.323044
N -1.373653 1.737844 -0.867870
N -2.426347 -1.056176 1.229733
N -4.274902 0.569429 1.255262
N -4.205649 2.613041 0.068246
C 1.020022 -1.976444 -1.246786
C 0.403174 -1.390201 0.055712
C 2.528077 -2.180006 -0.915466
C 2.807924 -1.102412 0.140605
C 3.152460 0.259917 -0.490930
C -1.792815 -0.168220 0.413107
C -0.327654 0.895132 -0.930724
C -2.299719 1.080698 -0.031770
C 4.098766 2.519501 -0.246489
C 3.962217 1.032083 1.770704
C -3.601942 1.437050 0.426068
C -3.661551 -0.604371 1.603623
H 0.915434 -1.275269 -2.091419
H -0.162074 -2.162262 0.605156
H 3.159108 -2.055988 -1.814002
H 3.566659 -1.461085 0.852952
H 0.126479 -3.336930 -2.476949
H 2.001073 -4.073611 -0.630302
H 0.595676 1.080789 -1.478711
H 3.943451 2.484339 -1.334986
H 5.159380 2.743128 -0.027834
H 3.470031 3.322201 0.183233
H 3.747658 1.986273 2.283896
H 5.012693 0.753010 1.982440
H 3.284696 0.274902 2.189794
H -4.235821 -1.260856 2.263985
H -5.136909 2.817555 0.424181
H -3.720862 3.265882 -0.543576


