%chk=000277141.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277141

0 1
O -5.467008 -3.180104 1.677913
O 1.492147 3.351310 0.467536
O -1.053277 -0.462888 -3.569623
O -2.242868 -1.704643 -2.283919
O 4.833708 -0.269787 2.333286
O 1.092315 3.181998 -1.752989
O 4.320378 1.036051 0.523668
N -3.817175 -0.130309 0.851907
N -1.460342 -2.377559 0.062840
N -4.127723 -3.484244 1.496036
N 2.002645 -0.107478 -0.768433
N -1.207053 -1.062214 -2.505882
N 2.871747 -0.662160 1.373832
N 1.264510 0.478421 -2.868751
C -3.733622 -1.056836 2.005825
C -3.322020 -2.473585 1.642805
C -1.848923 -2.788678 1.430502
C -2.700430 0.657608 0.505838
C -0.333409 -1.646063 -0.219447
C -4.711544 -0.603655 -0.237316
C -1.676542 0.915394 1.454902
C -2.626759 1.284927 -0.766348
C -0.192087 -1.005859 -1.515814
C 0.700943 -1.526468 0.730048
C -0.589365 1.708304 1.114532
C -1.532824 2.072423 -1.093220
C -0.483440 2.259381 -0.173982
C 1.839392 -0.759056 0.410120
C 1.005785 -0.212136 -1.724254
C 0.732307 2.962002 -0.611927
C 4.033544 0.143837 1.275676
C 6.137774 0.386724 2.468524
C 2.824696 3.856248 0.172702
C 7.085103 -0.112574 1.400783
H -3.043463 -0.644406 2.781652
H -4.748604 -1.079888 2.484113
H -1.236060 -2.270901 2.206641
H -1.655136 -3.886799 1.545218
H -2.184212 -2.527808 -0.670279
H -5.253180 0.260473 -0.661705
H -4.163627 -1.109981 -1.056223
H -5.468690 -1.305339 0.154138
H -1.739613 0.493980 2.455894
H -3.419819 1.152290 -1.499650
H 0.621081 -2.019078 1.690173
H 0.207201 1.895641 1.841167
H -1.466630 2.538401 -2.081781
H 2.813932 -1.288986 2.187254
H 2.026759 1.158417 -2.878918
H 0.564248 0.563685 -3.609007
H -5.920963 -4.084352 1.552780
H 6.413285 0.061400 3.489436
H 5.983074 1.479467 2.428893
H 3.478810 2.985389 0.011498
H 2.807196 4.503332 -0.709867
H 3.084757 4.405073 1.080970
H 7.122958 -1.209507 1.370836
H 6.774412 0.225680 0.399145
H 8.106204 0.251986 1.565852


%chk=000277141-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277141

0 1
O -5.426013 -3.423404 1.888243
O 1.470389 3.335758 0.586425
O -1.075324 -0.413157 -3.672651
O -2.281347 -1.753963 -2.297434
O 4.971400 -0.416408 2.244486
O 0.772966 3.663042 -1.622402
O 4.490867 0.959554 0.392215
N -3.880680 -0.233926 0.762780
N -1.454998 -2.259747 0.092572
N -3.990901 -3.632156 1.656906
N 2.107869 -0.178257 -0.923587
N -1.178991 -1.057316 -2.535102
N 3.035580 -0.777093 1.171321
N 1.289140 0.434001 -2.985485
C -3.920902 -1.114275 1.944371
C -3.315559 -2.501942 1.693736
C -1.818858 -2.685031 1.450297
C -2.840447 0.673847 0.526269
C -0.283352 -1.638231 -0.257441
C -4.867398 -0.523754 -0.297120
C -1.832728 0.962111 1.504012
C -2.746896 1.350589 -0.734639
C -0.137736 -1.006339 -1.568587
C 0.814595 -1.553825 0.636852
C -0.757865 1.812021 1.207556
C -1.663561 2.193412 -1.021560
C -0.633222 2.416516 -0.071044
C 1.963589 -0.819716 0.256453
C 1.084565 -0.251628 -1.827567
C 0.559692 3.196986 -0.470783
C 4.182384 0.022427 1.154743
C 6.268911 0.295274 2.424158
C 2.788233 3.927978 0.253227
C 7.354422 -0.308236 1.528699
H -3.395408 -0.640424 2.789846
H -4.971306 -1.248994 2.250583
H -1.262349 -2.075802 2.187390
H -1.564084 -3.749795 1.620144
H -2.146655 -2.321282 -0.677994
H -5.435736 0.386752 -0.565953
H -4.385427 -0.919993 -1.212853
H -5.578915 -1.277545 0.075961
H -1.867169 0.506191 2.497919
H -3.499105 1.181907 -1.508504
H 0.770191 -2.039597 1.614122
H 0.018545 1.995564 1.955689
H -1.581885 2.669455 -2.004420
H 2.984427 -1.408278 1.973664
H 2.132174 1.005827 -3.039909
H 0.536147 0.458148 -3.681820
H -5.780500 -4.347713 1.834260
H 6.491121 0.160501 3.494922
H 6.115787 1.366232 2.201134
H 3.486073 3.103695 0.028930
H 2.693645 4.605253 -0.611419
H 3.104734 4.473860 1.155217
H 7.465871 -1.389807 1.718441
H 7.112223 -0.153772 0.463920
H 8.324276 0.181004 1.736409


