%chk=000112389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112389

0 1
O -5.421847 1.598800 0.346647
O 9.181466 0.716865 0.995919
O 9.007987 1.556826 -0.989232
N -3.286627 -1.347182 -0.023537
N 2.323829 -0.769654 -0.218940
N 2.912220 0.261518 0.174406
N -5.018003 -5.888068 0.072317
N 8.535319 1.041018 0.011675
N -7.890036 5.592170 -0.387384
C -4.177199 -0.348295 0.609798
C -3.917503 -2.628900 -0.404706
C -1.895498 -1.186549 -0.026926
C -4.608610 0.695124 -0.438371
C -3.892461 -3.641974 0.763100
C -1.052475 -2.206210 -0.544576
C -1.307791 0.017132 0.448370
C 0.321353 -2.023445 -0.590579
C 0.066037 0.190613 0.401595
C 0.898825 -0.824588 -0.116949
C -5.940277 2.717107 -0.413484
C -4.519020 -4.891815 0.377473
C -6.740160 3.493244 0.640905
C 4.347600 0.328100 0.076160
C 5.130237 -0.037063 1.189480
C 4.933309 0.915666 -1.062637
C -7.378705 4.660610 0.066023
C 7.082894 0.792487 0.033460
C 6.500908 0.198835 1.167325
C 6.304329 1.150161 -1.081236
H -5.077626 -0.836653 1.046207
H -3.674727 0.165466 1.464332
H -4.967645 -2.440071 -0.727122
H -3.392984 -3.056512 -1.293360
H -3.750581 1.240301 -0.868709
H -5.216853 0.256775 -1.247060
H -2.840076 -3.826056 1.092546
H -4.404455 -3.218763 1.659529
H -1.473645 -3.135363 -0.922755
H -1.929239 0.813716 0.854097
H 0.967465 -2.809290 -0.993715
H 0.514003 1.119363 0.768712
H -6.578120 2.341067 -1.232675
H -5.100396 3.306125 -0.822189
H -7.499565 2.817593 1.107241
H -6.066333 3.786684 1.483456
H 4.663085 -0.498391 2.060047
H 4.315178 1.184928 -1.919609
H 7.132940 -0.074563 2.020518
H 6.785375 1.607009 -1.954188


%chk=000112389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112389

0 1
O -5.433165 1.582912 0.667111
O 9.044874 1.989506 0.570527
O 9.240714 0.047660 -0.614067
N -3.298336 -1.398353 -0.052557
N 2.340120 -0.728421 -0.277793
N 2.871724 0.333410 0.294044
N -5.082425 -5.891445 -0.994986
N 8.539253 0.942561 0.003132
N -7.776330 5.801173 0.060241
C -4.183977 -0.465318 0.671216
C -3.938201 -2.551861 -0.701044
C -1.910166 -1.214603 -0.092952
C -4.573757 0.757423 -0.184216
C -3.898486 -3.828577 0.204482
C -1.050596 -2.155411 -0.751006
C -1.296382 -0.069692 0.525453
C 0.334629 -1.954004 -0.789263
C 0.086325 0.119623 0.489199
C 0.933481 -0.820500 -0.173070
C -5.905664 2.796629 -0.004697
C -4.547335 -4.978429 -0.443431
C -6.766725 3.538066 1.038700
C 4.293638 0.404307 0.173917
C 4.896859 1.539135 0.784578
C 5.108635 -0.557151 -0.496786
C -7.326906 4.789191 0.504071
C 7.073788 0.757693 0.063206
C 6.288513 1.723561 0.733576
C 6.498200 -0.381624 -0.552862
H -5.107609 -0.996792 0.960662
H -3.715399 -0.120431 1.609128
H -4.991147 -2.299589 -0.914113
H -3.462001 -2.768695 -1.672817
H -3.672305 1.324868 -0.498843
H -5.119451 0.436696 -1.098702
H -2.850556 -4.085992 0.444480
H -4.407793 -3.617784 1.163526
H -1.459203 -3.045013 -1.237602
H -1.910850 0.677459 1.035363
H 0.989093 -2.671913 -1.294422
H 0.546081 0.993000 0.961735
H -6.509335 2.538358 -0.900058
H -5.048433 3.425012 -0.325699
H -7.588114 2.875349 1.367702
H -6.149183 3.758676 1.928556
H 4.247407 2.259215 1.291572
H 4.625188 -1.422011 -0.959225
H 6.776312 2.586256 1.193950
H 7.150896 -1.098232 -1.058517


