%chk=000231079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231079

0 1
O -2.017429 1.450900 1.251705
O -4.575201 0.643642 0.011401
N -2.398558 -0.145736 -0.364418
N -4.288938 -1.599960 -0.376427
C -0.211808 1.008012 -0.324750
C 0.572120 2.081854 0.458326
C 1.851877 2.496983 -0.274486
C 0.531255 -0.306835 -0.356414
C 2.618356 3.569040 0.513104
C -1.604392 0.840905 0.297738
C 0.701183 -1.057566 0.817389
C 1.059399 -0.780309 -1.566279
C 3.895014 3.992666 -0.209172
C 1.391753 -2.270863 0.777488
C 1.750631 -1.995098 -1.599764
C 1.916616 -2.742963 -0.430427
C -3.822256 -0.282059 -0.184397
H -0.364759 1.389000 -1.371043
H -0.082876 2.964131 0.621880
H 0.812334 1.708430 1.473673
H 2.500610 1.612552 -0.433720
H 1.608563 2.878368 -1.284590
H 1.970401 4.452865 0.676880
H 2.869106 3.187969 1.522774
H 0.299479 -0.691003 1.762348
H 0.943953 -0.200918 -2.480644
H 4.437134 4.755236 0.361756
H 3.679997 4.415506 -1.197080
H 4.576747 3.147041 -0.355221
H -1.938398 -0.784767 -1.020742
H 1.524531 -2.848978 1.691424
H 2.163139 -2.357257 -2.540726
H 2.456187 -3.687875 -0.458392
H -5.268830 -1.766074 -0.177397
H -3.691641 -2.396639 -0.227196


%chk=000231079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231079

0 1
O -2.296799 2.048322 0.560877
O -4.675209 0.399272 -0.088640
N -2.361883 -0.164765 -0.230195
N -3.996619 -1.830935 -0.063515
C -0.235927 1.111728 -0.436185
C 0.545474 2.164909 0.395823
C 1.904962 2.545592 -0.227350
C 0.447891 -0.254768 -0.474001
C 2.667404 3.595152 0.613187
C -1.726538 1.063625 0.034844
C 0.700238 -0.975478 0.726587
C 0.849475 -0.836161 -1.704694
C 4.024319 3.990553 -0.008060
C 1.336435 -2.235222 0.694038
C 1.488574 -2.097802 -1.741338
C 1.733776 -2.802320 -0.541070
C -3.759728 -0.456194 -0.110645
H -0.292396 1.492835 -1.479345
H -0.096032 3.059874 0.493080
H 0.701018 1.781932 1.424006
H 2.537922 1.642290 -0.343099
H 1.741587 2.947830 -1.249913
H 2.034582 4.497981 0.731307
H 2.829776 3.194062 1.634557
H 0.399657 -0.544464 1.689340
H 0.668007 -0.291289 -2.639491
H 4.551283 4.738388 0.612521
H 3.887198 4.424755 -1.016500
H 4.685383 3.109069 -0.109998
H -1.746982 -0.913055 -0.566243
H 1.526384 -2.774028 1.629272
H 1.796796 -2.525018 -2.702070
H 2.231651 -3.777918 -0.565362
H -4.970057 -2.127360 -0.040173
H -3.266324 -2.521193 0.103050


