%chk=000210154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210154

0 1
O -3.286971 -1.217122 0.629621
O 2.651891 -3.019866 -1.011512
N 4.875124 -0.275569 -0.529438
N 2.126099 -0.783990 -0.745680
C 4.440392 -1.458791 -1.330522
C 5.998085 0.458422 -1.202694
C 5.242827 -0.693615 0.867552
C 2.996263 -1.850340 -0.995375
C 0.739558 -0.887540 -0.403607
C 5.478670 1.215328 -2.424807
C 5.219125 0.520367 1.795531
C 0.041539 0.291947 -0.018892
C 0.065073 -2.121601 -0.460081
C -1.318826 0.206065 0.291982
C -1.960749 -1.034342 0.218763
C -1.291787 -2.203825 -0.153979
C 0.724963 1.619044 0.062350
C -4.265636 -0.327803 0.197046
C -4.170226 0.447256 -0.963679
C -5.413494 -0.334386 1.008651
C -5.265502 1.242540 -1.314534
C -6.490047 0.465514 0.630514
C -6.418880 1.256337 -0.524915
H 5.079225 -2.361608 -1.194757
H 4.480707 -1.219282 -2.419782
H 6.414065 1.188375 -0.470297
H 6.836280 -0.211599 -1.492504
H 6.231533 -1.198572 0.918269
H 4.491428 -1.436818 1.221179
H 6.259457 1.857530 -2.847491
H 4.626396 1.855377 -2.162028
H 5.140727 0.538771 -3.218676
H 5.353247 0.214770 2.839536
H 4.262647 1.054546 1.725180
H 6.008903 1.241242 1.554427
H 2.544013 0.155221 -0.684839
H 0.608545 -3.032575 -0.747590
H -1.875387 1.089534 0.600616
H -1.824073 -3.152758 -0.193427
H 1.602249 1.586953 0.725472
H 0.064746 2.403121 0.460234
H 1.056919 1.962213 -0.928440
H -3.278069 0.421898 -1.583989
H -5.443158 -0.957063 1.899470
H -5.216443 1.853254 -2.215891
H -7.393203 0.477034 1.240568
H -7.264444 1.878310 -0.807537


%chk=000210154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210154

0 1
O -3.311340 -1.323208 0.423007
O 2.813846 -3.301893 -1.280390
N 4.784939 -0.270138 -0.510565
N 2.248134 -1.099753 -0.603440
C 4.554666 -1.567962 -1.201153
C 5.671367 0.658924 -1.273733
C 5.224169 -0.490621 0.903694
C 3.111406 -2.096417 -1.020138
C 0.848988 -1.158798 -0.375043
C 4.978017 1.267407 -2.506396
C 5.046855 0.741304 1.808847
C 0.180588 0.041574 0.027115
C 0.114720 -2.365166 -0.530703
C -1.210775 -0.001022 0.264477
C -1.932699 -1.204744 0.098074
C -1.273695 -2.385613 -0.295999
C 0.945403 1.342115 0.206185
C -4.232601 -0.296832 0.103915
C -4.089460 0.559657 -1.013915
C -5.377830 -0.227598 0.929545
C -5.107159 1.500133 -1.291049
C -6.386672 0.714894 0.637386
C -6.255838 1.586472 -0.470202
H 5.245793 -2.369911 -0.864688
H 4.714868 -1.447818 -2.288251
H 5.962137 1.478097 -0.593181
H 6.615562 0.147140 -1.579785
H 6.285549 -0.836984 0.936342
H 4.608775 -1.317352 1.305564
H 5.664321 1.960990 -3.025853
H 4.076515 1.829216 -2.203667
H 4.670515 0.496993 -3.236341
H 5.309934 0.481316 2.850269
H 3.997757 1.087657 1.794537
H 5.690929 1.585989 1.506660
H 2.772211 -0.217579 -0.442749
H 0.645206 -3.268720 -0.838269
H -1.729528 0.906578 0.590657
H -1.850815 -3.307890 -0.408726
H 1.715217 1.263326 0.999771
H 0.264830 2.161689 0.489073
H 1.464361 1.647593 -0.724191
H -3.209992 0.483074 -1.660571
H -5.458728 -0.912050 1.779322
H -5.002202 2.160799 -2.159099
H -7.274639 0.769231 1.276984
H -7.039805 2.317805 -0.693330


