%chk=000269667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269667

0 1
O 2.475257 1.490280 -0.020503
O 7.332299 0.365419 0.060814
O 6.403627 -1.657877 -0.179115
N 1.304575 -0.496718 -0.001671
N -0.964926 -0.956970 0.007111
N -3.234229 -1.607491 0.018119
C -2.685495 0.806708 -0.005673
C -4.089222 1.111714 -0.005814
C -2.298715 -0.577188 0.006412
C -1.650633 1.786243 -0.016810
C -0.026974 0.012774 -0.003782
C -4.995684 0.075508 0.005753
C -4.531604 -1.282185 0.017697
C 3.751793 -0.563168 -0.006864
C -0.331125 1.412701 -0.016030
C -4.549079 2.530717 -0.018371
C 2.489109 0.276800 -0.009134
C 4.983706 0.336190 0.065799
C -5.519977 -2.401085 0.030362
C 6.242670 -0.469398 -0.035266
H -1.919194 2.844775 -0.026071
H -6.066316 0.260050 0.006036
H 3.753761 -1.282427 0.842944
H 3.797800 -1.201491 -0.919785
H 0.481476 2.146753 -0.024605
H -4.185350 3.079975 0.863278
H -4.188375 3.063266 -0.911450
H -5.644698 2.621686 -0.017373
H 1.366423 -1.527189 0.005031
H 4.958075 1.112597 -0.737639
H 4.985243 0.938181 1.005336
H -6.163689 -2.355804 0.920145
H -6.167529 -2.372522 -0.857334
H -5.023295 -3.387684 0.038546
H 8.197893 -0.122439 -0.002893


%chk=000269667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269667

0 1
O 2.574012 1.592432 -0.169313
O 7.382757 0.037065 0.570501
O 6.401611 -1.217636 -1.117295
N 1.304274 -0.376978 -0.036932
N -0.943956 -0.875795 0.033301
N -3.172214 -1.592164 0.118367
C -2.711491 0.848905 -0.047598
C -4.126216 1.130838 -0.043542
C -2.280501 -0.534614 0.034278
C -1.695846 1.855080 -0.128280
C -0.026377 0.110155 -0.045729
C -4.996539 0.041100 0.041703
C -4.491551 -1.304291 0.121838
C 3.749474 -0.567319 -0.141551
C -0.346886 1.506858 -0.128347
C -4.644254 2.552184 -0.130459
C 2.504605 0.328247 -0.107045
C 4.992582 0.187287 0.357775
C -5.452427 -2.470742 0.214427
C 6.277577 -0.422881 -0.158310
H -1.977529 2.911310 -0.191071
H -6.080782 0.198445 0.048269
H 3.586604 -1.493535 0.440258
H 3.923583 -0.884432 -1.189368
H 0.458430 2.240088 -0.186770
H -4.276735 3.169765 0.710565
H -4.315832 3.045199 -1.064792
H -5.746149 2.571988 -0.107500
H 1.336990 -1.401017 0.019142
H 4.935620 1.236534 0.003921
H 5.033705 0.244438 1.459053
H -6.092577 -2.389807 1.113324
H -6.125624 -2.503426 -0.663051
H -4.885175 -3.412140 0.264247
H 8.214435 -0.350442 0.183183


