%chk=000200454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200454

0 1
O -3.065543 0.034699 0.365467
O -4.771113 -1.100092 -0.654298
N 1.536039 2.279370 0.921574
C 1.789709 0.013566 -0.024629
C 2.208729 1.052092 -1.103331
C 1.765612 0.843484 1.291512
C 1.813116 2.442869 -0.553475
C 2.843920 -1.112612 0.087085
C 0.424045 -0.547015 -0.414112
C 0.543773 2.990420 -1.213108
C 2.483840 -2.176076 1.133315
C 2.355241 3.202035 1.756647
C -0.757173 -0.037835 0.131084
C 0.339623 -1.569244 -1.382984
C 3.549408 -3.266728 1.214359
C -1.985076 -0.577737 -0.284333
C -0.894335 -2.083942 -1.777144
C -2.086779 -1.597033 -1.228107
C -4.402077 -0.269158 0.132255
C -5.204481 0.614132 1.023180
H 1.727302 0.845348 -2.073538
H 3.294079 1.009681 -1.290307
H 0.936812 0.538859 1.963611
H 2.703165 0.689501 1.862619
H 2.648703 3.162946 -0.736496
H 3.829954 -0.671054 0.329993
H 2.976440 -1.596158 -0.901413
H 0.225743 3.924657 -0.735682
H 0.694995 3.181880 -2.278338
H -0.293765 2.286891 -1.108320
H 1.501684 -2.629481 0.887253
H 2.353953 -1.706340 2.127393
H 2.103090 4.240512 1.486137
H 3.443694 3.072820 1.666909
H 2.075567 3.069173 2.814336
H -0.749899 0.780210 0.856296
H 1.250837 -1.965258 -1.828926
H 3.283579 -4.021911 1.963121
H 3.670279 -3.786330 0.257050
H 4.527605 -2.859515 1.492987
H -0.938326 -2.876862 -2.524018
H -3.052770 -2.000830 -1.534818
H -4.575200 1.287859 1.629355
H -5.817494 0.015203 1.715415
H -5.892704 1.239907 0.432726


%chk=000200454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200454

0 1
O -3.245166 0.140947 0.267838
O -5.075955 -1.203571 -0.367061
N 1.320865 2.087707 0.860171
C 1.650083 -0.113416 -0.107861
C 1.839580 1.025880 -1.194908
C 1.681406 0.697886 1.232812
C 2.064819 2.343893 -0.409007
C 2.850040 -1.102586 -0.158623
C 0.283977 -0.800659 -0.326642
C 1.579721 3.597454 -1.151844
C 2.904904 -2.155714 0.973398
C 1.552459 3.065022 1.936860
C -0.900669 -0.119974 0.050291
C 0.148399 -2.064640 -0.960048
C 4.129226 -3.087263 0.842505
C -2.166265 -0.693125 -0.184253
C -1.127402 -2.623628 -1.191715
C -2.310570 -1.954578 -0.807919
C -4.613668 -0.162489 0.146981
C -5.436434 0.964837 0.735776
H 0.931666 1.119559 -1.815782
H 2.687365 0.800599 -1.866591
H 0.984276 0.303906 1.993406
H 2.715275 0.656524 1.665112
H 3.161611 2.453588 -0.187214
H 3.780327 -0.498040 -0.121806
H 2.871114 -1.618853 -1.140100
H 1.796196 4.524260 -0.589877
H 2.079823 3.679968 -2.134081
H 0.489052 3.536561 -1.318447
H 1.977105 -2.758637 0.973540
H 2.940113 -1.641218 1.954331
H 1.220045 4.068916 1.621890
H 2.629016 3.131210 2.240167
H 0.964854 2.780904 2.828057
H -0.835441 0.874848 0.505839
H 1.034318 -2.620866 -1.280469
H 4.160682 -3.830195 1.660372
H 4.106959 -3.641386 -0.115312
H 5.073663 -2.511058 0.872415
H -1.209025 -3.601033 -1.680625
H -3.294862 -2.386476 -0.987035
H -4.797207 1.766864 1.130080
H -6.075783 0.565075 1.542135
H -6.106689 1.369902 -0.042455


