%chk=000228834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228834

0 1
O -2.389724 1.390401 0.000411
O 2.390273 -1.451178 0.000596
O -5.092174 -2.615012 -0.000181
O 4.977624 2.672601 0.000376
N -2.386571 -1.494751 0.000903
N 2.396587 1.433292 0.000543
N -6.017075 -0.537303 -0.000117
N -4.657339 1.480078 0.000179
N 4.655196 -1.457718 0.000525
N 6.003422 0.624589 0.000455
N -6.996567 1.658842 -0.000713
N 7.018779 -1.495882 0.000125
C -1.195377 -0.826267 0.000592
C -1.185955 0.622855 0.000503
C 1.205543 -0.724259 0.000567
C 1.214461 0.696036 0.000536
C -3.595210 -0.731450 0.000686
C 0.044349 -1.496493 0.000571
C -0.041187 1.375962 0.000493
C -3.547216 0.667422 0.000521
C -4.854913 -1.427614 0.000790
C 3.512122 0.759687 0.000563
C 3.575742 -0.715870 0.000606
C -5.874481 0.860950 -0.000182
C 4.875284 1.476709 0.000638
C 5.896534 -0.708639 0.000398
H 0.112582 -2.582613 0.000588
H -2.463374 -2.508953 0.000747
H -0.066481 2.471693 0.000446
H -6.939166 -0.986403 -0.000585
H -7.929228 1.285265 -0.001210
H -6.887013 2.668680 -0.000830
H 6.945441 -2.501316 0.000283
H 7.934512 -1.069538 0.000178


%chk=000228834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228834

0 1
O -2.410700 1.424174 -0.000327
O 2.415789 -1.469745 0.000493
O -5.020094 -2.663350 0.000842
O 4.985057 2.698145 0.000418
N -2.433373 -1.429924 -0.000068
N 2.430072 1.407013 0.000200
N -6.023695 -0.524199 0.000088
N -4.733216 1.490308 -0.000362
N 4.728851 -1.475973 0.000747
N 6.069866 0.619586 0.000702
N -7.065331 1.618335 0.000453
N 7.051400 -1.499859 0.001133
C -1.208603 -0.783712 0.000047
C -1.194037 0.660553 -0.000113
C 1.215386 -0.748867 0.000292
C 1.244821 0.686745 0.000152
C -3.629776 -0.687298 -0.000325
C 0.021532 -1.480204 0.000239
C -0.007666 1.375261 -0.000059
C -3.618907 0.710039 -0.000410
C -4.885199 -1.398132 -0.000631
C 3.580416 0.715566 0.000390
C 3.635015 -0.746682 0.000548
C -5.919889 0.860295 0.000006
C 4.920780 1.436736 0.000452
C 5.929446 -0.712283 0.000798
H 0.054930 -2.573164 0.000343
H -2.520441 -2.449564 -0.000104
H -0.009686 2.467539 -0.000179
H -6.930323 -1.001750 0.000537
H -7.999998 1.219886 0.000791
H -6.946520 2.629525 0.000391
H 6.949897 -2.512028 0.001266
H 7.963597 -1.049171 0.001254


