%chk=000287008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287008

0 1
O 3.355025 -0.455747 0.000106
O 3.269573 1.851093 -0.005367
N 1.351082 0.564775 -0.000346
N -1.771665 -1.290831 0.003526
C 0.381195 1.707595 -0.003467
C 0.686754 -0.772571 0.002619
C -0.955376 1.025835 -0.002006
C -0.781449 -0.422026 0.001549
C 4.850981 -0.515352 -0.000300
C -2.213374 1.546008 -0.003444
C 2.721492 0.762367 -0.002273
C -3.327615 0.635245 -0.001385
C -3.073284 -0.766668 0.002065
C 5.047030 -2.029304 0.002954
C 5.355369 0.148662 -1.272114
C 5.356433 0.154326 1.268146
C -4.678966 1.088571 -0.002678
C -4.165159 -1.688971 0.004159
C -5.715004 0.183747 -0.000619
C -5.455347 -1.215753 0.002826
H 0.540620 2.343323 -0.903568
H 0.540348 2.347746 0.893545
H 0.985521 -1.358568 0.901329
H 0.985784 -1.362881 -0.893176
H -2.401693 2.618292 -0.006075
H 4.581493 -2.494165 -0.875430
H 4.585308 -2.490008 0.885505
H 6.110247 -2.290138 0.001249
H 5.133435 1.229459 -1.269706
H 6.438403 0.037782 -1.383983
H 4.879364 -0.270979 -2.165624
H 4.880250 -0.260518 2.163810
H 6.439380 0.042842 1.380272
H 5.135570 1.235316 1.260622
H -4.873563 2.160464 -0.005315
H -3.941854 -2.757426 0.006794
H -6.749958 0.524092 -0.001592
H -6.299150 -1.905833 0.004389


%chk=000287008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287008

0 1
O 3.350119 -0.484250 0.002153
O 3.209773 1.894160 -0.004033
N 1.317878 0.536419 0.000858
N -1.817358 -1.296725 0.004156
C 0.384415 1.693896 -0.002640
C 0.652632 -0.788437 0.004089
C -0.969815 1.020761 -0.001544
C -0.815895 -0.409846 0.002325
C 4.873262 -0.516930 -0.000266
C -2.250962 1.558558 -0.003617
C 2.676867 0.747151 0.000399
C -3.371323 0.658348 -0.001822
C -3.109452 -0.771287 0.002086
C 5.157078 -2.029229 0.002658
C 5.398986 0.154596 -1.285139
C 5.403259 0.160388 1.279798
C -4.728787 1.114228 -0.003740
C -4.210806 -1.683116 0.003887
C -5.785857 0.200498 -0.001904
C -5.524798 -1.206819 0.001927
H 0.552597 2.330004 -0.893494
H 0.551713 2.334651 0.885046
H 0.927302 -1.382928 0.895480
H 0.928204 -1.387743 -0.883789
H -2.424994 2.641109 -0.006560
H 4.720589 -2.508587 -0.890545
H 4.724541 -2.504450 0.899988
H 6.247360 -2.206803 0.000671
H 5.159615 1.229475 -1.291376
H 6.496378 0.032643 -1.341172
H 4.953914 -0.319959 -2.177831
H 4.960447 -0.309506 2.176069
H 6.500714 0.037836 1.333182
H 5.164681 1.235462 1.281639
H -4.927473 2.192967 -0.006685
H -3.982738 -2.753378 0.006816
H -6.821280 0.558018 -0.003391
H -6.363588 -1.911378 0.003320


