%chk=000296101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296101

0 1
O -0.899686 -0.442942 -0.471593
O -2.286530 1.285614 0.248560
N 2.634432 0.941641 -0.294691
N 3.127787 -0.142591 0.555830
C 1.372971 0.392798 -0.941590
C 2.251623 -1.336789 0.189889
C 0.286971 0.090646 0.152109
C 1.849663 -1.045952 -1.288408
C 0.908221 -1.092737 0.937931
C 2.406079 2.156522 0.542150
C 4.566927 -0.384257 0.227637
C -1.879872 0.523728 -0.882059
C -2.997604 -0.296074 -1.531245
C -3.836740 -1.042545 -0.487239
C -4.273159 -0.094364 0.636476
C -3.044660 0.572093 1.255670
H 1.046643 1.028752 -1.771773
H 2.727336 -2.301107 0.401619
H 0.017498 0.961429 0.774129
H 2.680557 -1.083763 -2.001488
H 1.042120 -1.686445 -1.666741
H 0.254379 -1.979287 0.890879
H 1.064462 -0.847722 1.998820
H 1.904403 2.922534 -0.066620
H 3.392372 2.550666 0.841971
H 1.827485 1.988657 1.463161
H 4.947152 -1.164970 0.902739
H 5.135068 0.540535 0.423433
H 4.762365 -0.676596 -0.814283
H -1.425276 1.296910 -1.534358
H -2.551962 -1.018229 -2.244322
H -3.640131 0.384164 -2.123173
H -3.237985 -1.875833 -0.065301
H -4.719289 -1.502111 -0.968178
H -4.957690 0.678444 0.235399
H -4.842042 -0.642743 1.409029
H -3.300163 1.381495 1.960793
H -2.368225 -0.160271 1.730636


%chk=000296101-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296101

0 1
O -0.946562 -0.518844 -0.403891
O -2.346428 1.343861 0.262269
N 2.608513 0.942071 -0.288737
N 3.216246 -0.163549 0.568391
C 1.382664 0.323281 -0.908682
C 2.325928 -1.341919 0.251846
C 0.304292 0.020586 0.186280
C 1.903762 -1.095495 -1.231349
C 0.986531 -1.116428 1.006854
C 2.408198 2.165324 0.518873
C 4.630302 -0.361444 0.153978
C -1.886375 0.512684 -0.852698
C -3.040438 -0.217324 -1.557403
C -3.895870 -1.017524 -0.546688
C -4.360678 -0.093264 0.604341
C -3.144211 0.584219 1.258330
H 1.034512 0.935267 -1.755360
H 2.835694 -2.287708 0.488452
H 0.046981 0.909920 0.787927
H 2.743897 -1.093152 -1.943513
H 1.102450 -1.768006 -1.576506
H 0.351718 -2.019400 0.973255
H 1.169541 -0.834777 2.056468
H 1.879356 2.911924 -0.101728
H 3.394919 2.581907 0.786039
H 1.841611 2.006090 1.461553
H 5.077556 -1.136924 0.802729
H 5.178462 0.582092 0.313862
H 4.754693 -0.653263 -0.912294
H -1.379978 1.241020 -1.515725
H -2.618477 -0.877530 -2.336142
H -3.667678 0.545373 -2.057418
H -3.289318 -1.845688 -0.133773
H -4.765871 -1.467351 -1.059799
H -5.043950 0.684273 0.210245
H -4.915072 -0.668317 1.371368
H -3.437923 1.340874 2.004124
H -2.493499 -0.173558 1.740321


