%chk=000239362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239362

0 1
O -3.573225 0.294996 0.000954
O 3.573201 0.294889 -0.000027
O -2.607499 -1.754117 0.000506
O 2.607406 -1.754192 -0.001135
N -1.211415 1.562561 -0.000297
N 1.211423 1.562527 -0.000852
C -1.198244 0.206515 0.000006
C 1.198216 0.206488 -0.000514
C -0.000026 -0.531755 -0.000092
C -2.503933 -0.548986 0.000484
C 2.503882 -0.549058 -0.000634
C 0.000009 2.193235 -0.000727
C -4.885196 -0.341439 0.001443
C 4.885152 -0.341589 -0.000079
H -0.000036 -1.630096 0.000135
H 0.000028 3.297596 -0.001004
H -5.556264 0.525651 0.001794
H -4.999766 -0.950854 0.903283
H -5.000507 -0.950695 -0.900409
H 5.000286 -0.950390 -0.902262
H 4.999858 -0.951467 0.901431
H 5.556249 0.525479 0.000594


%chk=000239362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239362

0 1
O -3.614770 0.317576 0.000833
O 3.614744 0.317467 -0.000346
O -2.563819 -1.762073 0.000813
O 2.563730 -1.762150 -0.000443
N -1.221638 1.626577 0.000019
N 1.221652 1.626541 -0.000531
C -1.206774 0.257532 0.000346
C 1.206747 0.257496 -0.000199
C -0.000025 -0.482344 0.000230
C -2.508248 -0.507276 0.000861
C 2.508198 -0.507352 -0.000314
C 0.000015 2.235409 -0.000416
C -4.924614 -0.380585 0.001024
C 4.924567 -0.380734 -0.000530
H -0.000041 -1.574503 0.000463
H 0.000032 3.329429 -0.000693
H -5.668205 0.427464 0.000985
H -5.018879 -1.012431 0.900317
H -5.019024 -1.012650 -0.898099
H 5.018833 -1.012541 -0.899850
H 5.018937 -1.012844 0.898566
H 5.668183 0.427293 -0.000441


