%chk=000298752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298752

0 1
O 1.245570 0.595847 -0.000164
O -0.154314 2.405574 -0.001523
O -3.632427 -3.009793 0.002380
O -1.575338 -2.366354 0.001939
N -0.949853 0.174019 0.000151
N -2.784588 -2.133853 0.001840
C -2.344031 0.372372 0.000052
C 3.580033 0.584250 -0.000403
C 2.405154 1.514758 -0.000872
C -3.227066 -0.743061 0.000891
C -2.899905 1.677732 -0.000871
C 4.129104 0.147636 1.214607
C 4.129244 0.146583 -1.214970
C -4.629444 -0.522965 0.000811
C -4.270599 1.861986 -0.000928
C -5.147491 0.756827 -0.000075
C 0.014808 1.206116 -0.000600
C 5.232006 -0.710558 1.211788
C 5.232148 -0.711604 -1.211279
C 5.785109 -1.138870 0.000472
H 2.331098 2.148411 0.901209
H 2.330914 2.147286 -0.903728
H -2.231729 2.550965 -0.001547
H -0.587164 -0.814644 0.000849
H 3.693496 0.470189 2.159516
H 3.693751 0.468317 -2.160210
H -5.292861 -1.398308 0.001466
H -4.682912 2.874588 -0.001645
H -6.224382 0.918979 -0.000119
H 5.658252 -1.049400 2.155080
H 5.658509 -1.051259 -2.154227
H 6.644208 -1.808465 0.000811


%chk=000298752-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298752

0 1
O 1.207772 0.520920 0.000278
O -0.159578 2.432667 -0.001445
O -3.722901 -3.050571 0.002373
O -1.562782 -2.350079 0.002742
N -1.021974 0.209282 0.000402
N -2.850277 -2.102243 0.001970
C -2.406735 0.412576 0.000089
C 3.636906 0.546492 -0.000193
C 2.412830 1.425693 -0.000362
C -3.313344 -0.707522 0.000850
C -2.982329 1.719089 -0.001018
C 4.219964 0.126864 1.221879
C 4.219519 0.125790 -1.222107
C -4.719339 -0.515118 0.000541
C -4.374853 1.892120 -0.001309
C -5.255388 0.778667 -0.000526
C -0.023294 1.183037 -0.000408
C 5.362778 -0.702799 1.223934
C 5.362332 -0.703877 -1.223850
C 5.936108 -1.119974 0.000121
H 2.348464 2.067589 0.895809
H 2.348127 2.066784 -0.897083
H -2.309199 2.578438 -0.001644
H -0.728312 -0.785776 0.001316
H 3.774881 0.447373 2.171568
H 3.774092 0.445465 -2.171915
H -5.356917 -1.402615 0.001147
H -4.781110 2.909281 -0.002154
H -6.339351 0.924615 -0.000748
H 5.805309 -1.022055 2.173765
H 5.804515 -1.023968 -2.173562
H 6.823387 -1.762844 0.000242


