%chk=000236422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236422

0 1
O 6.101262 1.978182 -0.455077
O -6.105184 1.962011 0.525569
O 7.711972 -2.227914 0.579550
O -7.715382 -2.208971 -0.643297
O -0.521802 1.533706 1.891174
O 0.518040 1.593919 -1.833010
N 3.326466 0.953709 0.434643
N -3.330207 0.966837 -0.396297
N 1.046350 0.210173 1.151520
N -1.050011 0.246869 -1.136755
N 5.463433 -1.886138 0.924997
N -5.466903 -1.855993 -0.977703
N 3.070018 -1.209872 1.204692
N -3.073556 -1.170857 -1.235481
N 6.909375 -0.118574 0.057934
N -6.913095 -0.117239 -0.054615
N 0.649641 1.366576 1.717541
N -0.653389 1.421085 -1.664871
C 4.585077 0.334711 0.388581
C -4.588768 0.346550 -0.370164
C 2.445981 0.004287 0.945738
C -2.449648 0.034447 -0.937671
C 4.395433 -0.997192 0.860190
C -4.398989 -0.969491 -0.884331
C 0.136634 -0.906983 0.743646
C -0.140253 -0.882803 -0.765039
C 5.862461 0.860657 -0.042882
C -5.866262 0.858310 0.077727
C 6.771101 -1.461379 0.522685
C -6.774631 -1.444491 -0.562039
C 3.059503 2.341155 0.053015
C -3.063407 2.341300 0.029840
C 5.259685 -3.265459 1.430542
C -5.262916 -3.218516 -1.526831
C 8.286464 0.275958 -0.352487
C -8.290438 0.264125 0.367240
H 0.599497 -1.884934 1.028223
H -0.810616 -0.823594 1.329454
H 0.806959 -0.780659 -1.347967
H -0.603124 -1.851139 -1.080748
H 2.783354 2.953545 0.932480
H 3.965787 2.797757 -0.408010
H 2.235044 2.393067 -0.688673
H -2.239735 2.369277 0.773652
H -2.786302 2.981518 -0.829279
H -3.970070 2.783113 0.504362
H 4.838232 -3.241014 2.451602
H 6.225144 -3.807844 1.454608
H 4.559540 -3.813198 0.775442
H -4.838798 -3.161576 -2.545495
H -6.228725 -3.759024 -1.570780
H -4.564908 -3.787669 -0.887909
H 8.293208 1.330364 -0.688486
H 8.639339 -0.364773 -1.179252
H 8.986223 0.166201 0.494297
H -8.987569 0.191741 -0.485676
H -8.295298 1.303747 0.746547
H -8.648040 -0.409301 1.165534


%chk=000236422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236422

0 1
O 5.997091 2.323536 0.331700
O -6.004111 2.333748 -0.251876
O 7.773124 -2.036543 0.100222
O -7.774362 -2.033844 -0.157166
O -0.799416 0.996499 1.853015
O 0.796307 1.064784 -1.805353
N 3.229967 0.929572 0.776244
N -3.234919 0.958073 -0.738704
N 1.016846 -0.133588 1.122357
N -1.020556 -0.091527 -1.118849
N 5.461669 -1.840777 0.451281
N -5.463191 -1.823992 -0.501699
N 3.069222 -1.364193 0.814947
N -3.071529 -1.333107 -0.850775
N 6.857797 0.118527 0.220136
N -6.861927 0.125205 -0.209318
N 0.477266 1.017730 1.745551
N -0.480453 1.082366 -1.697739
C 4.524172 0.409736 0.588447
C -4.528535 0.430901 -0.567538
C 2.403994 -0.174982 0.917846
C -2.407657 -0.140441 -0.915662
C 4.382753 -0.989060 0.611493
C -4.385437 -0.966252 -0.635190
C 0.186081 -1.297932 0.729407
C -0.189992 -1.269925 -0.769618
C 5.790021 1.071214 0.379994
C -5.795350 1.083815 -0.338991
C 6.757229 -1.301903 0.248663
C -6.759498 -1.293493 -0.282421
C 2.875767 2.365991 0.716500
C -2.882510 2.392230 -0.631765
C 5.278206 -3.304352 0.493921
C -5.277744 -3.285280 -0.589708
C 8.224316 0.649367 0.000115
C -8.229221 0.647138 0.026536
H 0.770822 -2.208216 0.937445
H -0.721053 -1.275914 1.356417
H 0.716990 -1.224811 -1.395658
H -0.774993 -2.171663 -1.011335
H 2.560376 2.728274 1.705678
H 3.771875 2.911697 0.385375
H 2.054242 2.507080 -0.004727
H -2.063356 2.511094 0.096154
H -2.564216 2.786485 -1.607690
H -3.780259 2.926106 -0.286107
H 4.829916 -3.600839 1.456841
H 6.269340 -3.765972 0.377603
H 4.612325 -3.628648 -0.323581
H -4.831357 -3.551577 -1.562298
H -6.267948 -3.751760 -0.485371
H -4.609526 -3.633474 0.215961
H 8.154812 1.746575 0.004643
H 8.617506 0.290366 -0.964821
H 8.897251 0.300227 0.799928
H -8.900784 0.324693 -0.785580
H -8.160760 1.743938 0.059098
H -8.623428 0.255400 0.978220


