%chk=000289283.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289283

0 1
O 1.145928 -2.898936 0.380085
N -0.850776 0.450902 -0.908716
C -1.603594 -0.827876 -0.656388
C -2.235190 -0.824916 0.754662
C 0.459239 0.551409 -0.365953
C -1.772218 1.621014 -0.782507
C -0.685692 -2.034567 -0.862554
C -3.155953 0.387297 0.938910
C 1.176810 -0.554983 -0.014602
C -2.429162 1.697861 0.606225
C 1.044753 1.941655 -0.277647
C 2.607612 -0.491610 0.443145
C 0.618950 -1.910150 -0.092256
C 2.576562 1.938890 -0.185495
C 3.048306 0.917541 0.853804
H -2.422016 -0.865886 -1.424900
H -1.437463 -0.819451 1.524068
H -2.798217 -1.762055 0.917669
H -2.551567 1.507682 -1.571194
H -1.236132 2.562288 -1.023106
H -0.432411 -2.145950 -1.938760
H -1.201439 -2.974601 -0.584667
H -3.528951 0.418511 1.980678
H -4.053323 0.280876 0.299020
H -3.136593 2.546703 0.641940
H -1.662026 1.905545 1.377262
H 0.734589 2.550936 -1.152946
H 0.623248 2.444309 0.619845
H 2.751016 -1.199431 1.289088
H 3.258784 -0.871324 -0.372594
H 3.011195 1.693643 -1.174933
H 2.938666 2.951316 0.070731
H 2.634995 1.168118 1.849325
H 4.147971 0.954937 0.960359


%chk=000289283-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289283

0 1
O 1.265791 -2.981904 0.196753
N -0.870436 0.466927 -0.798241
C -1.610996 -0.819906 -0.616164
C -2.259913 -0.836487 0.795725
C 0.465399 0.546370 -0.390971
C -1.786573 1.632476 -0.734205
C -0.694797 -2.018882 -0.901982
C -3.208519 0.376070 0.969338
C 1.208381 -0.583628 -0.024579
C -2.487094 1.708863 0.648320
C 1.091800 1.939059 -0.375673
C 2.637778 -0.493722 0.494477
C 0.649332 -1.923668 -0.170914
C 2.628347 1.919338 -0.217109
C 3.044996 0.936711 0.895406
H -2.432150 -0.813813 -1.363577
H -1.462649 -0.817759 1.564103
H -2.817556 -1.783369 0.927709
H -2.550331 1.504319 -1.527264
H -1.243562 2.564229 -0.952500
H -0.477421 -2.068502 -1.988750
H -1.192882 -2.963223 -0.621165
H -3.617446 0.400854 1.996780
H -4.073966 0.259906 0.283640
H -3.206503 2.550748 0.652601
H -1.727518 1.921001 1.426738
H 0.827445 2.467735 -1.312856
H 0.648629 2.532083 0.452171
H 2.738995 -1.193458 1.344846
H 3.335813 -0.878046 -0.278377
H 3.097052 1.604197 -1.170350
H 2.983731 2.945137 -0.002731
H 2.546887 1.222937 1.844269
H 4.135837 0.987104 1.072131


