%chk=000213336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213336

0 1
O 3.819316 2.357924 -0.130581
O 4.898563 -1.564856 1.197424
O 6.963639 -0.702259 1.120679
N -2.524675 1.132891 0.065805
N 3.828030 0.112135 -0.545377
C -3.331448 -0.026851 -0.107264
C -3.383153 2.244530 0.262822
C -1.093750 1.171409 -0.019571
C -4.660832 0.368593 -0.003326
C -4.692914 1.777528 0.225261
C -2.794901 -1.372466 -0.309786
C -0.351183 1.830598 0.977112
C -0.444251 0.549790 -1.103090
C -2.896771 3.628040 0.439847
C 1.689874 1.242280 -0.190532
C 1.039270 1.871266 0.881003
C 0.946598 0.587818 -1.182960
C -3.265077 -2.145798 -1.384877
C -1.842937 -1.911237 0.572044
C -2.782107 -3.442565 -1.575282
C -1.364181 -3.208287 0.373870
C 3.179483 1.329955 -0.260901
C -1.830990 -3.975092 -0.698887
C 5.296072 0.054628 -0.512551
C 5.848853 -0.722510 0.663946
H -5.519025 -0.270750 -0.070183
H -5.580130 2.365328 0.346081
H -0.856722 2.300002 1.821326
H -1.028142 0.041530 -1.873409
H -1.967411 3.831637 -0.112912
H -3.643909 4.353986 0.080498
H -2.712017 3.859618 1.500106
H 1.626252 2.396324 1.639545
H 1.451994 0.118206 -2.029300
H -4.007302 -1.730708 -2.065815
H -1.486466 -1.318646 1.413431
H -3.149303 -4.040428 -2.408114
H -0.629265 -3.625005 1.060683
H -1.457810 -4.986213 -0.849020
H 3.349233 -0.780439 -0.426900
H 5.722082 1.099966 -0.486277
H 5.675555 -0.412046 -1.456761
H 5.241560 -2.084128 1.974991


%chk=000213336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213336

0 1
O 3.685864 1.976490 1.599789
O 5.286245 -1.401295 -1.470662
O 7.403167 -0.800390 -0.713635
N -2.542594 1.130293 -0.089029
N 3.985131 0.327356 0.008383
C -3.347358 -0.011621 -0.363215
C -3.316801 2.302497 -0.276365
C -1.119043 1.126320 0.107973
C -4.621961 0.462625 -0.710141
C -4.600982 1.895546 -0.656544
C -2.919409 -1.410729 -0.186612
C -0.544222 1.795321 1.216800
C -0.279062 0.468147 -0.824423
C -2.760088 3.693314 -0.152778
C 1.700398 1.131319 0.471775
C 0.852486 1.802483 1.388535
C 1.116249 0.466675 -0.639038
C -3.450186 -2.411082 -1.051918
C -2.035235 -1.823206 0.852019
C -3.114042 -3.770408 -0.884215
C -1.691070 -3.182297 1.010229
C 3.181178 1.184896 0.737722
C -2.227112 -4.165090 0.145289
C 5.432672 0.345181 0.206076
C 6.167879 -0.645286 -0.676788
H -5.486186 -0.169130 -0.909899
H -5.429592 2.569432 -0.869759
H -1.193529 2.288184 1.946792
H -0.726527 -0.031674 -1.688298
H -1.808557 3.815167 -0.703235
H -3.487354 4.408285 -0.571786
H -2.570024 3.991350 0.895861
H 1.318274 2.318073 2.234401
H 1.736168 -0.030505 -1.394289
H -4.117168 -2.109198 -1.867332
H -1.636737 -1.083190 1.553524
H -3.535692 -4.520764 -1.562814
H -1.012978 -3.476094 1.819598
H -1.960750 -5.220117 0.273088
H 3.608123 -0.368185 -0.636118
H 5.694541 0.125624 1.260631
H 5.845527 1.354506 0.013425
H 5.800061 -2.043126 -2.030218


