%chk=000219447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219447

0 1
O 2.422920 0.471682 1.854651
O -2.420849 0.456529 1.863502
N -0.006515 1.163756 -1.564093
C 0.000189 -0.068376 0.574390
C 1.270479 -0.876376 0.249622
C -1.266123 -0.884431 0.254259
C -0.005539 1.240270 -0.202968
C 2.499348 -0.298778 0.920894
C -2.496063 -0.315120 0.930603
C -0.009756 2.473357 0.477605
C 3.830393 -0.722187 0.379437
C -3.826569 -0.748299 0.395619
C -0.015004 3.654174 -0.266759
C -0.011646 2.322649 -2.272650
C 4.015350 -1.930309 -0.306752
C -4.005585 -1.956221 -0.292503
C 4.924772 0.131436 0.592193
C -4.926698 0.095822 0.616619
C -0.015980 3.587237 -1.663812
C 5.282888 -2.276634 -0.782456
C -5.272929 -2.311741 -0.761901
C 6.189625 -0.213734 0.109620
C -6.191414 -0.258515 0.140400
C 6.368784 -1.417884 -0.578300
C -6.364636 -1.462420 -0.549470
H 0.001471 0.169841 1.677272
H 1.412408 -0.920844 -0.853559
H 1.149607 -1.927857 0.580663
H -1.412074 -0.929304 -0.848377
H -1.137129 -1.935272 0.584273
H -0.008961 2.497438 1.568135
H -0.018318 4.620086 0.238191
H -0.012218 2.215505 -3.362932
H 3.179574 -2.609390 -0.469516
H -3.165268 -2.628087 -0.461724
H 4.775883 1.064075 1.143876
H -4.782254 1.028357 1.169694
H -0.020012 4.491102 -2.265889
H 5.425490 -3.216329 -1.313384
H -5.410849 -3.251267 -1.294364
H 7.034533 0.453508 0.273167
H -7.040801 0.401394 0.310378
H 7.354902 -1.689228 -0.954048
H -7.350624 -1.740914 -0.920305


%chk=000219447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219447

0 1
O 2.495020 0.861764 1.557935
O -2.497885 0.847359 1.565346
N -0.009470 1.338730 -1.684281
C -0.001088 0.139217 0.458739
C 1.269176 -0.674517 0.113194
C -1.267273 -0.683014 0.118388
C -0.006901 1.456624 -0.318487
C 2.546481 -0.098295 0.733170
C -2.545997 -0.114656 0.742667
C -0.009303 2.715409 0.327401
C 3.869734 -0.711522 0.361544
C -3.866396 -0.738031 0.377857
C -0.014473 3.888654 -0.457349
C -0.014488 2.478955 -2.432703
C 3.981807 -1.795704 -0.550509
C -3.974535 -1.825004 -0.531343
C 5.048946 -0.182836 0.954382
C -5.046845 -0.216498 0.974555
C -0.017136 3.773742 -1.867164
C 5.246801 -2.338924 -0.861406
C -5.236884 -2.378083 -0.835530
C 6.311286 -0.724040 0.643129
C -6.306557 -0.767528 0.669979
C 6.413733 -1.804952 -0.266572
C -6.405079 -1.851232 -0.236828
H 0.000274 0.378360 1.535651
H 1.374314 -0.724386 -0.988760
H 1.166962 -1.721649 0.469176
H -1.376286 -0.734244 -0.983144
H -1.156764 -1.729213 0.474601
H -0.007119 2.759272 1.419086
H -0.016400 4.874160 0.020704
H -0.016406 2.339744 -3.520459
H 3.087696 -2.216753 -1.021426
H -3.079425 -2.240613 -1.005194
H 4.941629 0.652630 1.654282
H -4.942561 0.621283 1.672142
H -0.021142 4.658551 -2.511820
H 5.324979 -3.173997 -1.566178
H -5.312053 -3.215296 -1.538087
H 7.214306 -0.309123 1.104122
H -7.210570 -0.358105 1.133927
H 7.395360 -2.226795 -0.510202
H -7.384662 -2.280742 -0.475232


