%chk=000217425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217425

0 1
O -0.680456 0.404822 -2.373540
O 3.698813 -0.745267 -0.683939
N -3.029138 -1.669607 0.226501
C -1.174342 0.001749 0.025196
C -2.208478 0.480661 1.079169
C -1.692970 -1.412665 -0.403878
C -1.258610 0.992203 -1.183758
C -3.469043 -0.362246 0.816922
C 0.245698 -0.141839 0.549566
C -0.461919 2.286796 -0.980475
C -2.952779 -2.744654 1.259124
C 1.284799 -0.365973 -0.370414
C 0.540191 -0.099525 1.917857
C -1.148195 3.489638 -1.617754
C 2.588513 -0.529279 0.102321
C 1.855803 -0.270507 2.372448
C 2.897010 -0.487400 1.478893
C 3.513613 -0.782848 -2.120199
H -2.408902 1.561399 1.009838
H -1.839892 0.311948 2.110351
H -1.845011 -1.462814 -1.505912
H -0.952088 -2.199663 -0.162369
H -2.330182 1.193602 -1.413467
H -4.079285 -0.496266 1.727848
H -4.124805 0.122447 0.061583
H -0.285535 2.471137 0.097037
H 0.548274 2.148398 -1.427345
H -3.959567 -2.912922 1.673467
H -2.261683 -2.541877 2.090228
H -2.645313 -3.684687 0.773035
H 1.058868 -0.385686 -1.438756
H -0.255599 0.064607 2.644548
H -1.204379 -0.380341 -2.649139
H -2.121635 3.698115 -1.161436
H -1.310361 3.330176 -2.691965
H -0.535683 4.392931 -1.512884
H 2.062146 -0.232482 3.442333
H 3.923594 -0.621437 1.806318
H 2.876887 -1.627891 -2.396646
H 4.541326 -0.928173 -2.475783
H 3.103014 0.166621 -2.477523


%chk=000217425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217425

0 1
O -0.614364 0.889453 -2.323625
O 3.597789 -1.188589 -0.646825
N -2.852877 -1.869574 0.127071
C -1.248235 0.052286 -0.007694
C -2.352678 0.298549 1.083075
C -1.769931 -1.290791 -0.706561
C -1.313137 1.230016 -1.060890
C -3.516500 -0.659178 0.686024
C 0.182646 -0.089421 0.543884
C -0.682881 2.550171 -0.589244
C -2.366622 -2.814554 1.164840
C 1.200634 -0.597679 -0.311723
C 0.548455 0.318120 1.851076
C -1.036287 3.736612 -1.509232
C 2.535122 -0.708936 0.139884
C 1.886485 0.193453 2.299115
C 2.886722 -0.323783 1.457443
C 3.299652 -1.555695 -2.032671
H -2.673265 1.354620 1.133213
H -1.987228 0.013318 2.083450
H -2.211348 -1.049013 -1.697429
H -0.965411 -2.026819 -0.862577
H -2.393621 1.394977 -1.284170
H -4.175995 -0.923924 1.529707
H -4.142619 -0.203622 -0.107090
H -1.010339 2.758368 0.447482
H 0.413202 2.411934 -0.552631
H -3.228983 -3.175224 1.753070
H -1.614932 -2.385394 1.868430
H -1.907708 -3.688326 0.670091
H 0.941729 -0.854363 -1.341613
H -0.194876 0.747030 2.529446
H -1.169627 0.249072 -2.835554
H -2.125504 3.935680 -1.510772
H -0.725550 3.520848 -2.545990
H -0.525995 4.659877 -1.179567
H 2.148724 0.508717 3.315456
H 3.925766 -0.427566 1.783821
H 2.580092 -2.396855 -2.081969
H 4.263464 -1.868787 -2.460793
H 2.898730 -0.693806 -2.600559


