%chk=000231583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231583

0 1
O 1.724503 0.641531 -1.972552
N 0.497121 -0.500162 0.382941
N -1.240694 -2.008726 0.329800
N -0.812543 1.591858 -0.083527
N -3.209891 1.154711 -0.337720
N -4.153359 -1.018503 -0.157068
N -5.471070 -0.572459 -0.414106
C 1.862432 0.065623 0.421355
C 2.523377 -0.007500 -0.988028
C 2.738984 -0.660328 1.456883
C 3.916068 0.641413 -0.939952
C 4.134504 -0.023183 1.497014
C 4.798685 -0.034423 0.113209
C -0.659963 0.236819 0.118936
C 0.083032 -1.868115 0.479349
C -1.738223 -0.717246 0.103512
C -3.048326 -0.201198 -0.135885
C -2.098735 1.962755 -0.301437
H 1.758990 1.149964 0.716943
H 2.567505 -1.053327 -1.369053
H 2.826083 -1.736891 1.214287
H 2.266747 -0.609277 2.457831
H 3.826568 1.725329 -0.736559
H 4.380774 0.571977 -1.943482
H 4.769309 -0.565211 2.224409
H 4.065513 1.016367 1.873895
H 5.779483 0.477069 0.163237
H 5.018459 -1.076441 -0.191795
H 0.787727 -2.666137 0.663374
H 1.370033 1.502180 -1.655183
H -2.288718 3.036450 -0.472871
H -4.069681 -2.033855 -0.045162
H -5.507451 -0.076704 -1.319168
H -5.744242 0.130141 0.291373


%chk=000231583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231583

0 1
O 1.800607 1.992777 -1.028130
N 0.477295 -0.370365 0.603644
N -1.339463 -1.720275 1.088113
N -0.730194 1.332431 -0.791204
N -3.122363 0.862901 -1.009120
N -4.135015 -1.026136 0.009704
N -5.429091 -0.719740 -0.482333
C 1.897738 0.147467 0.674146
C 2.395773 0.709068 -0.704391
C 2.808576 -0.979904 1.228663
C 3.915311 0.987776 -0.682777
C 4.299895 -0.583337 1.245360
C 4.768398 -0.186289 -0.168951
C -0.641405 0.205341 -0.017689
C -0.017902 -1.522378 1.251557
C -1.741410 -0.637751 0.292576
C -3.015172 -0.269958 -0.236891
C -1.989885 1.590429 -1.240907
H 1.897824 1.007439 1.375841
H 2.167011 -0.064620 -1.476613
H 2.689256 -1.884534 0.597600
H 2.491477 -1.246953 2.255068
H 4.072344 1.875662 -0.038930
H 4.204544 1.287593 -1.705860
H 4.892713 -1.431242 1.637724
H 4.456991 0.268583 1.937666
H 5.836436 0.101486 -0.156934
H 4.678015 -1.059095 -0.848035
H 0.619693 -2.187327 1.823906
H 0.777349 1.907031 -1.064446
H -2.109265 2.481403 -1.863254
H -4.051388 -1.865333 0.585213
H -5.433300 -0.726383 -1.512497
H -5.738391 0.198735 -0.133017


