%chk=000202274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202274

0 1
O -0.203704 -1.113421 0.048582
N -3.845198 -0.745329 0.048830
C 0.928825 -0.364470 0.486514
C 3.153517 0.842565 1.118371
C 1.068160 -0.294779 2.038510
C 2.391809 0.410552 2.407379
C 0.993392 1.066609 -0.044749
C 2.164618 -1.083531 -0.049127
C 2.203683 1.717606 0.317726
C 3.370164 -0.418838 0.299302
C 0.047711 1.724366 -0.814929
C 2.187772 -2.254617 -0.790134
C 2.438247 3.030375 -0.066731
C 4.593809 -0.938289 -0.099359
C -1.483328 -0.798996 0.660507
C -2.498156 -1.195209 -0.425000
C -4.148174 0.639887 -0.443553
C -4.913220 -1.713177 -0.368608
C 0.288672 3.054015 -1.205204
C 3.429781 -2.776049 -1.193406
C 1.465738 3.699604 -0.830989
C 4.615179 -2.126243 -0.852145
C -5.491898 1.115172 0.133598
C -6.269337 -1.270897 0.206847
C -6.624174 0.151666 -0.242982
H 4.100740 1.357449 1.368680
H 1.038828 -1.319265 2.449040
H 0.212091 0.245020 2.475703
H 2.193429 1.298241 3.032764
H 3.032213 -0.262264 3.004418
H -0.862768 1.215766 -1.127323
H 1.255055 -2.754411 -1.052328
H 3.359068 3.538004 0.208076
H 5.524263 -0.440123 0.158781
H -1.576896 -1.422812 1.565036
H -1.544499 0.266460 0.931947
H -2.189872 -0.767444 -1.403237
H -2.468050 -2.297508 -0.561749
H -4.169340 0.705467 -1.552845
H -3.334690 1.311402 -0.093032
H -4.645391 -2.710865 0.042749
H -4.987568 -1.821121 -1.471866
H -0.450543 3.576547 -1.808609
H 3.460050 -3.693494 -1.777534
H 1.642706 4.729294 -1.136582
H 5.571254 -2.537845 -1.170646
H -5.712889 2.135074 -0.228767
H -5.413551 1.183086 1.237390
H -6.227186 -1.310539 1.314111
H -7.054518 -1.983543 -0.103085
H -7.571652 0.474634 0.226212
H -6.797769 0.174717 -1.335258


%chk=000202274-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202274

0 1
O -0.234945 -0.831719 -0.230521
N -3.966193 -0.773428 -0.023309
C 0.960019 -0.203007 0.325704
C 3.233834 0.823319 1.164064
C 0.972634 -0.135538 1.904646
C 2.324761 0.473131 2.402151
C 1.209319 1.226148 -0.182674
C 2.183105 -1.034930 -0.067429
C 2.431980 1.780267 0.287055
C 3.409612 -0.478956 0.385821
C 0.380597 1.960006 -1.051361
C 2.159444 -2.246203 -0.780787
C 2.807314 3.084001 -0.089059
C 4.622655 -1.144377 0.125374
C -1.524869 -0.456417 0.375747
C -2.608007 -0.995243 -0.571802
C -4.458456 0.611696 -0.242420
C -4.952508 -1.775592 -0.502783
C 0.761814 3.270377 -1.433002
C 3.382838 -2.909813 -1.048573
C 1.965046 3.833528 -0.948036
C 4.607463 -2.363534 -0.597925
C -5.790635 0.851429 0.496615
C -6.301910 -1.615192 0.227185
C -6.852659 -0.180897 0.054069
H 4.196065 1.253940 1.489807
H 0.831281 -1.160815 2.290748
H 0.125282 0.481810 2.250057
H 2.145616 1.390653 2.990631
H 2.859142 -0.245264 3.048793
H -0.531696 1.505506 -1.451226
H 1.202411 -2.652909 -1.118671
H 3.751750 3.510971 0.268917
H 5.571331 -0.720207 0.475410
H -1.643781 -0.926954 1.370714
H -1.596710 0.643869 0.494395
H -2.471203 -0.541893 -1.584788
H -2.441809 -2.082543 -0.683401
H -4.606014 0.811265 -1.338426
H -3.694940 1.324833 0.118396
H -4.540048 -2.784850 -0.317795
H -5.122954 -1.681424 -1.608987
H 0.125999 3.846663 -2.114765
H 3.380696 -3.850891 -1.610398
H 2.254462 4.846588 -1.249633
H 5.548600 -2.883124 -0.811471
H -6.140995 1.882700 0.297783
H -5.614781 0.759192 1.585824
H -6.149083 -1.824894 1.303617
H -7.021805 -2.360596 -0.162635
H -7.786558 -0.050818 0.632885
H -7.106101 -0.011363 -1.013235


