%chk=000297094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297094

0 1
O 0.609248 0.231510 0.303799
O -0.205128 -1.848690 -0.048728
O -4.282006 -1.908792 -0.304493
O -2.662560 2.324554 -0.901318
N 3.802206 1.427199 -0.318283
N -3.458534 0.199416 -0.615153
C 2.797233 -0.924272 0.191850
C 1.777513 -0.034878 -0.556709
C 3.214308 -0.221439 1.500963
C 4.030224 -1.056187 -0.728790
C 2.378348 1.369277 -0.784575
C 3.838835 1.153226 1.158461
C 4.585995 0.358219 -1.026901
C -1.444903 -0.263471 1.367691
C -0.323431 -0.757003 0.452821
C -2.638143 -1.214929 1.293786
C -1.853299 1.170950 1.039186
C -3.521297 -1.046808 0.077556
C -2.657279 1.312804 -0.233625
C -4.298980 0.343062 -1.837981
H 2.352525 -1.920364 0.405003
H 1.399267 -0.515023 -1.480297
H 2.331920 -0.091418 2.151953
H 3.928336 -0.847961 2.060603
H 4.797909 -1.681442 -0.240715
H 3.764389 -1.579668 -1.663178
H 2.340579 1.650677 -1.856342
H 1.784974 2.136839 -0.238981
H 3.301126 1.972942 1.676226
H 4.893917 1.205956 1.494267
H 5.645350 0.442609 -0.710564
H 4.566011 0.572720 -2.114258
H -1.025420 -0.286280 2.411869
H -3.274123 -1.112877 2.200541
H -2.285375 -2.278334 1.306432
H -0.945930 1.820545 0.953100
H -2.442105 1.609355 1.874979
H -5.304325 0.708401 -1.570936
H -4.406864 -0.633025 -2.344770
H -3.837809 1.063698 -2.537290


%chk=000297094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297094

0 1
O 0.680793 0.405028 0.450525
O -0.460337 -1.440084 -0.416560
O -4.221561 -2.098230 -0.135875
O -3.052786 2.312566 -1.079661
N 4.037156 1.361926 -0.168363
N -3.582739 0.078588 -0.636867
C 2.795808 -0.910300 0.123181
C 1.844608 0.152630 -0.474172
C 3.344767 -0.425044 1.492045
C 3.979346 -1.071218 -0.875499
C 2.622174 1.500004 -0.613013
C 4.070900 0.952774 1.270934
C 4.714039 0.316110 -0.996655
C -1.503910 -0.028409 1.340213
C -0.404123 -0.460202 0.362030
C -2.635479 -1.068005 1.406352
C -2.093600 1.348034 0.942968
C -3.526495 -1.094637 0.168138
C -2.927768 1.302557 -0.335608
C -4.415512 0.000048 -1.863656
H 2.260171 -1.868660 0.232645
H 1.423549 -0.209793 -1.429645
H 2.518437 -0.323708 2.218083
H 4.042887 -1.185140 1.889551
H 4.663220 -1.854491 -0.499186
H 3.605228 -1.413570 -1.859400
H 2.617124 1.847775 -1.660995
H 2.127275 2.271170 0.003519
H 3.589124 1.754350 1.858971
H 5.129819 0.903387 1.581783
H 5.762099 0.243406 -0.656049
H 4.730017 0.668806 -2.043812
H -1.025546 0.077879 2.331421
H -3.281695 -0.852012 2.279911
H -2.249752 -2.092578 1.530845
H -1.304670 2.101246 0.791841
H -2.746032 1.713648 1.760434
H -5.460429 -0.223972 -1.594613
H -4.044485 -0.810231 -2.511509
H -4.348920 0.969448 -2.377053


