%chk=000257194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257194

0 1
O -3.904751 -1.916938 0.882287
O -1.375276 1.561320 1.004633
O -2.047652 -2.303387 -0.290113
O 1.221054 1.638598 -0.472334
N -0.369457 -0.061834 -0.285493
N 1.934465 -0.530517 -0.003633
C -2.853748 0.007165 -0.133735
C -3.108960 0.254598 -1.644830
C -4.005250 0.740164 0.593899
C -4.624768 0.454673 -1.793892
C -5.164736 0.858398 -0.409211
C -1.484877 0.607870 0.275030
C -2.858699 -1.493692 0.118689
C 0.979644 0.476398 -0.254961
C 3.356296 -0.335455 -0.026082
C 4.158165 -1.469991 0.219480
C 3.944101 0.913887 -0.281639
C 5.546865 -1.337643 0.203464
C 5.336158 1.020421 -0.293105
C 6.141066 -0.097407 -0.052827
H -2.732210 -0.570372 -2.273254
H -2.566574 1.164004 -1.973336
H -3.664557 1.744780 0.923943
H -4.310904 0.209073 1.513350
H -5.110228 -0.473251 -2.145053
H -4.848440 1.224585 -2.552421
H -5.562598 1.888126 -0.422759
H -6.005462 0.206081 -0.113495
H -0.516644 -0.980677 -0.741353
H -3.895439 -2.909144 1.019801
H 1.616132 -1.468700 0.254851
H 3.710603 -2.439644 0.420031
H 3.325100 1.798305 -0.465122
H 6.171618 -2.210449 0.392813
H 5.795619 1.989567 -0.490782
H 7.224242 -0.003111 -0.063641


%chk=000257194-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257194

0 1
O -3.892246 -1.930665 0.767108
O -1.552353 2.044590 0.753752
O -1.786320 -2.128763 -0.130924
O 1.278767 1.900549 -0.005524
N -0.348524 0.164607 0.010393
N 1.911596 -0.372653 0.081057
C -2.846860 0.116032 -0.079127
C -3.079122 0.320486 -1.634174
C -4.097614 0.794808 0.543892
C -4.599969 0.105936 -1.808022
C -5.241731 0.704952 -0.518040
C -1.515278 0.876348 0.301717
C -2.762889 -1.383274 0.178446
C 0.988698 0.681413 0.036993
C 3.330936 -0.291716 -0.014247
C 4.051828 -1.516552 0.024200
C 4.034938 0.935322 -0.144134
C 5.457871 -1.518003 -0.068348
C 5.443332 0.914528 -0.239553
C 6.164980 -0.300315 -0.202787
H -2.453648 -0.347654 -2.251317
H -2.806017 1.365738 -1.870751
H -3.824876 1.843233 0.750464
H -4.378223 0.327513 1.500334
H -4.827906 -0.973588 -1.885763
H -4.973725 0.587633 -2.728663
H -5.654628 1.710183 -0.716393
H -6.072934 0.072811 -0.162366
H -0.504569 -0.822914 -0.260337
H -3.760603 -2.913160 0.876170
H 1.538531 -1.314309 0.225783
H 3.511140 -2.467216 0.123985
H 3.480626 1.875016 -0.162664
H 5.999367 -2.469898 -0.036579
H 5.979707 1.864773 -0.340106
H 7.257614 -0.299991 -0.275274


