%chk=000229341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229341

0 1
O -1.459067 1.471350 -1.704508
O 0.512386 -0.562327 1.810467
O 2.326533 1.725891 -1.792808
O -3.911860 -0.349212 1.794537
O -5.390022 -0.283037 0.120131
N 1.172850 0.850924 0.070508
N -1.873667 0.244847 0.173572
C 0.039572 1.794709 0.222236
C 0.352403 3.237401 -0.262731
C -1.150257 1.185381 -0.564010
C -2.995371 -0.495312 -0.427420
C -2.638078 -1.996907 -0.653934
C -0.909790 4.096575 -0.147220
C 1.492463 3.841503 0.560799
C 1.300290 -0.295375 0.936296
C 2.212667 0.891635 -0.939691
C 2.534730 -1.006020 0.475444
C 3.070980 -0.308121 -0.642207
C -3.786863 -2.694541 -1.383464
C -2.286641 -2.707971 0.652687
C -4.233529 -0.359498 0.455777
C 3.136076 -2.145901 0.963647
C 4.209967 -0.748978 -1.279683
C 4.307706 -2.600598 0.311729
C 4.830293 -1.920578 -0.781817
H -0.215775 1.841462 1.320343
H 0.658954 3.191097 -1.343152
H -3.247915 -0.026613 -1.430260
H -1.735160 -2.009521 -1.319341
H -1.586951 -0.053726 1.113879
H -1.320332 4.111284 0.866677
H -0.698285 5.136051 -0.426582
H -1.697277 3.746052 -0.830649
H 1.696201 4.871337 0.241063
H 1.260602 3.873823 1.630353
H 2.426112 3.282552 0.434602
H -3.540500 -3.740549 -1.599795
H -4.016500 -2.211710 -2.341379
H -4.714407 -2.697963 -0.796185
H -3.082044 -2.612105 1.403275
H -2.121184 -3.778780 0.489903
H -1.371293 -2.303671 1.105849
H 2.728566 -2.682948 1.821218
H 4.623384 -0.218535 -2.139179
H 4.800835 -3.501566 0.681282
H 5.733699 -2.287668 -1.272693
H -4.710600 -0.242240 2.377635


%chk=000229341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229341

0 1
O -1.652321 1.399334 -1.683203
O 0.565723 -0.115306 2.196950
O 2.084053 1.279751 -2.047309
O -3.345627 -0.753325 2.288443
O -5.190225 -1.227524 0.961135
N 1.096880 0.879212 0.104675
N -1.935207 0.313596 0.355593
C -0.025897 1.853653 0.152101
C 0.296258 3.241131 -0.459982
C -1.278366 1.182513 -0.491429
C -3.107185 -0.442213 -0.109092
C -2.692480 -1.708091 -0.958013
C -0.898789 4.192017 -0.206838
C 1.591729 3.829858 0.142921
C 1.295073 -0.048032 1.170160
C 2.029009 0.655377 -0.962866
C 2.472288 -0.882614 0.789060
C 2.906836 -0.468279 -0.492422
C -3.885712 -2.272214 -1.758634
C -2.008788 -2.791372 -0.094994
C -4.009206 -0.833107 1.052914
C 3.110104 -1.924155 1.479765
C 3.996553 -1.079965 -1.128459
C 4.215459 -2.549106 0.845621
C 4.651513 -2.133826 -0.438366
H -0.230037 1.984831 1.234493
H 0.420930 3.113617 -1.549471
H -3.690023 0.212262 -0.784787
H -1.954082 -1.304663 -1.678583
H -1.592096 0.158736 1.311104
H -1.083355 4.326537 0.877427
H -0.681915 5.187323 -0.634779
H -1.821372 3.817732 -0.681903
H 1.774066 4.836837 -0.273776
H 1.512274 3.929562 1.243189
H 2.477850 3.213601 -0.086812
H -3.549090 -3.110154 -2.396244
H -4.325473 -1.500862 -2.417288
H -4.683904 -2.643909 -1.092449
H -2.729741 -3.275816 0.590680
H -1.585878 -3.580474 -0.742792
H -1.184563 -2.373687 0.512108
H 2.764121 -2.236495 2.469932
H 4.321964 -0.751995 -2.120570
H 4.740946 -3.365184 1.352893
H 5.506476 -2.636490 -0.902953
H -3.954873 -1.046717 3.018054


