%chk=000228596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228596

0 1
O 3.135016 -2.245547 -0.407043
O 1.356153 -3.154150 -1.454616
O -5.018646 -0.130679 0.173481
O -8.412326 0.109349 1.017880
O -7.288222 -1.424590 -0.028448
N 5.147180 0.815423 0.131806
N 1.287938 -0.891838 -0.664556
N -0.037177 -0.687855 -0.314396
N -7.386170 -0.360743 0.552327
C 6.288923 0.483468 1.048483
C 5.525617 1.897646 -0.836936
C 4.664869 -0.405268 -0.585188
C 6.691634 1.733913 1.847353
C 5.920155 3.167742 -0.064702
C 7.069740 2.887794 0.910778
C 3.505685 -0.975953 0.246714
C 2.223505 -0.120825 0.227928
C 1.837461 -2.211870 -0.885670
C -1.023354 -1.066810 -1.085124
C -0.971049 -1.817896 -2.371079
C -2.380893 -0.721935 -0.592754
C -2.682627 0.453307 -0.019348
C -4.007985 0.801006 0.443587
C -4.523917 1.895208 1.120364
C -5.921211 1.662735 1.296931
C -6.183861 0.438077 0.715596
H 7.171465 0.082154 0.504566
H 5.948724 -0.311127 1.746769
H 4.639874 2.111456 -1.473866
H 6.352593 1.595298 -1.514939
H 5.438432 -1.192518 -0.725117
H 4.304220 -0.163843 -1.608992
H 7.533135 1.489019 2.520768
H 5.849212 2.043390 2.498092
H 5.041459 3.546436 0.495198
H 6.202306 3.962763 -0.778793
H 7.992903 2.640732 0.353124
H 7.300477 3.795743 1.498436
H 3.817590 -1.276601 1.267256
H 1.811357 0.049623 1.244508
H 2.391879 0.882801 -0.221888
H -0.703703 -2.881254 -2.204768
H -1.915444 -1.800843 -2.928319
H -0.187623 -1.422616 -3.038681
H -3.134034 -1.505704 -0.745459
H -1.920687 1.229266 0.142225
H -3.984454 2.762024 1.457762
H -6.628720 2.314192 1.786448


%chk=000228596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228596

0 1
O 3.136112 -2.441565 0.200157
O 1.117858 -3.314620 -0.616365
O -4.996190 0.318338 -0.309688
O -8.457433 1.248709 -0.201153
O -7.125967 0.613665 -1.971568
N 5.067967 0.810801 -0.021286
N 1.338722 -1.029114 0.083123
N 0.006549 -0.606952 0.174925
N -7.325374 0.865182 -0.717615
C 6.296755 0.617986 0.796641
C 5.301743 1.776473 -1.129484
C 4.478688 -0.468959 -0.474562
C 6.770941 1.951549 1.407941
C 5.747653 3.146520 -0.579282
C 7.010441 3.003036 0.301485
C 3.614862 -1.086398 0.644395
C 2.313509 -0.301197 0.926977
C 1.775770 -2.353749 -0.181540
C -0.822281 -0.862794 -0.841817
C -0.432731 -1.422776 -2.191965
C -2.223737 -0.484451 -0.630417
C -2.757436 -0.134713 0.590761
C -4.120146 0.258783 0.803632
C -4.831913 0.625043 1.962295
C -6.175377 0.918756 1.576892
C -6.235138 0.721418 0.198365
H 7.120815 0.184426 0.171366
H 6.084817 -0.109911 1.601449
H 4.360701 1.884657 -1.700373
H 6.081739 1.395139 -1.839217
H 5.244289 -1.217870 -0.786007
H 3.832694 -0.278336 -1.352506
H 7.696327 1.778922 1.989965
H 5.996764 2.319251 2.108906
H 4.922627 3.572903 0.023795
H 5.936432 3.835822 -1.424346
H 7.865954 2.684799 -0.329721
H 7.283961 3.978179 0.746019
H 4.207325 -1.259082 1.555700
H 2.001045 -0.342663 1.986997
H 2.414175 0.750798 0.619565
H -0.454558 -2.526757 -2.187223
H -1.122664 -1.054558 -2.969943
H 0.600130 -1.128810 -2.454091
H -2.875736 -0.504188 -1.511596
H -2.112098 -0.152531 1.475790
H -4.416669 0.668469 2.967099
H -7.004518 1.232468 2.205221


