%chk=000295318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295318

0 1
O -2.491249 1.839226 0.212899
O 2.492981 -1.841097 0.213284
N -3.387938 -0.209551 0.781649
N 3.387709 0.208641 0.781681
C -4.624013 -0.100987 0.043533
C 4.623899 0.101162 0.043599
C -5.541892 0.938451 0.316844
C -4.916040 -1.076192 -0.940004
C 5.542768 -0.937359 0.317052
C 4.915002 1.076522 -0.940063
C -7.052499 0.012231 -1.358374
C 7.052500 -0.009923 -1.358280
C -6.749749 0.980807 -0.394050
C -6.133774 -1.014079 -1.624524
C 6.750672 -0.978657 -0.393833
C 6.132795 1.015480 -1.624568
C -1.155084 0.346015 1.531194
C 1.155387 -0.348870 1.531268
C -5.247720 1.989336 1.332987
C -3.946881 -2.171366 -1.249964
C 5.249600 -1.988387 1.333338
C 3.944802 2.170733 -1.250163
C -2.383552 0.760777 0.765260
C 2.384251 -0.762643 0.765425
C 0.000319 -0.000956 0.822542
C -8.339721 0.080213 -2.114723
C 8.339775 -0.076729 -2.114644
C -1.159845 0.349402 2.931146
C 1.159514 -0.354093 2.931215
C -0.000323 -0.002798 3.628800
H -7.457570 1.782541 -0.194305
H -6.366362 -1.762956 -2.378011
H 7.459253 -1.779691 -0.193973
H 6.364679 1.764477 -2.378152
H -3.206138 -1.124518 1.192793
H 3.205053 1.123473 1.192750
H -6.106609 2.637910 1.540183
H -4.424572 2.640274 0.973591
H -4.919514 1.558424 2.287467
H -4.227149 -2.734046 -2.151466
H -3.883430 -2.899107 -0.429474
H -2.934978 -1.778569 -1.429794
H 4.920981 -1.557656 2.287756
H 4.427078 -2.640162 0.974027
H 6.109110 -2.636108 1.540624
H 3.880633 2.898502 -0.429752
H 2.933278 1.776951 -1.429970
H 4.224549 2.733586 -2.151718
H 0.000562 -0.000217 -0.269945
H -8.696625 -0.911112 -2.423410
H -9.144461 0.544144 -1.529131
H -8.217211 0.680569 -3.029237
H 9.144613 -0.541185 -1.529609
H 8.217431 -0.675993 -3.029897
H 8.696446 0.915065 -2.422101
H -2.062769 0.630318 3.474714
H 2.062197 -0.635718 3.474819
H -0.000570 -0.003507 4.718498


%chk=000295318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295318

0 1
O -2.477025 0.768045 -1.146587
O 2.475724 -0.763662 -1.148183
N -3.647355 -0.204250 0.640532
N 3.646867 0.205492 0.640191
C -4.974200 -0.176564 0.086599
C 4.973921 0.176728 0.086804
C -5.567886 1.044862 -0.343694
C -5.697614 -1.405148 0.031430
C 5.566915 -1.045032 -0.343594
C 5.698419 1.404726 0.032611
C -7.623284 -0.207253 -0.948662
C 7.623596 0.205729 -0.947079
C -6.884872 0.996123 -0.863097
C -7.014459 -1.397061 -0.478953
C 6.884209 -0.997092 -0.862316
C 7.015487 1.395817 -0.477148
C -1.224031 0.119732 0.832793
C 1.223384 -0.117079 0.832160
C -4.847433 2.371824 -0.233705
C -5.061335 -2.703260 0.499195
C 4.845756 -2.371641 -0.234008
C 5.062961 2.703148 0.500641
C -2.487623 0.267013 0.017351
C 2.486638 -0.263247 0.016026
C -0.000467 0.001752 0.133912
C -9.020948 -0.227643 -1.542699
C 9.021582 0.225277 -1.540383
C -1.217006 0.132413 2.253324
C 1.216933 -0.131498 2.252670
C 0.000108 0.000046 2.956429
H -7.346835 1.932880 -1.199658
H -7.570759 -2.341748 -0.525055
H 7.345660 -1.934097 -1.198887
H 7.572566 2.340079 -0.522549
H -3.511014 -0.799998 1.461012
H 3.511021 0.800477 1.461305
H -5.554356 3.212652 -0.335716
H -4.072141 2.457925 -1.016901
H -4.326251 2.469980 0.737190
H -5.719806 -3.560948 0.283507
H -4.870518 -2.711029 1.592425
H -4.092335 -2.883460 -0.002925
H 4.323983 -2.469564 0.736594
H 4.070870 -2.457373 -1.017636
H 5.552351 -3.212798 -0.335614
H 4.871445 2.710529 1.593753
H 4.094444 2.884454 -0.002018
H 5.722312 3.560376 0.285823
H -0.000664 0.002421 -0.960611
H -9.640371 -1.026361 -1.097628
H -9.541095 0.734439 -1.389416
H -8.984811 -0.410033 -2.634583
H 9.540385 -0.737740 -1.388456
H 8.986231 0.409570 -2.631974
H 9.641836 1.022436 -1.093664
H -2.148189 0.278854 2.813215
H 2.148344 -0.278614 2.812014
H 0.000331 -0.000610 4.051700


