%chk=000215610.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215610

0 1
O -0.291633 1.366299 1.570209
O -1.691148 3.023472 -1.098910
O 0.718439 3.547292 -0.540044
O -1.563071 -0.981780 1.182693
N -3.304094 -0.050151 0.034879
N 1.657685 0.313741 0.759205
N 2.287642 -1.866803 1.114599
N 3.638980 1.066259 -0.589233
N 5.288010 -0.720131 -0.895854
N 5.006167 -2.905338 -0.032474
C -4.083479 -1.316690 -0.056443
C -1.439705 1.400990 0.690935
C -0.971505 1.872275 -0.711893
C 0.553294 2.129446 -0.564400
C 0.922111 1.594485 0.849729
C -4.383203 -1.653317 -1.535037
C -5.462277 -1.148231 0.622125
C -5.790062 -1.112556 -1.839259
C -6.471520 -0.813554 -0.488808
C -2.075114 0.001285 0.678099
C 2.900235 0.156220 0.130412
C 1.333840 -0.963618 1.342701
C 3.281268 -1.208459 0.363273
C 4.529885 -1.630889 -0.181534
C 4.809860 0.552251 -1.058489
H -3.486759 -2.129489 0.433194
H -2.117796 2.144652 1.174057
H -1.199037 1.132304 -1.512896
H 1.153827 1.680446 -1.383005
H 1.494232 2.330712 1.470207
H -4.346811 -2.748729 -1.676992
H -3.626467 -1.237323 -2.220004
H -5.447158 -0.376507 1.409347
H -5.739206 -2.089186 1.131136
H -6.373757 -1.842349 -2.425308
H -5.733634 -0.199604 -2.456649
H -6.778932 0.244713 -0.434115
H -7.394519 -1.406308 -0.371463
H -3.729711 0.773291 -0.384855
H -1.240042 3.853915 -0.773302
H 1.569700 3.794641 -0.974400
H 0.385366 -1.106522 1.871213
H 5.454230 1.233690 -1.640015
H 5.898381 -3.172025 -0.416627
H 4.479790 -3.584417 0.496793


%chk=000215610-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215610

0 1
O -0.263048 1.166750 1.569558
O -1.780787 2.054788 -1.633730
O 0.186119 3.419852 -0.535155
O -1.728608 -1.222492 1.419637
N -3.427526 -0.169831 0.199941
N 1.759100 0.233917 0.669910
N 2.498930 -1.925587 0.875105
N 3.756362 1.261723 -0.395787
N 5.552695 -0.385519 -0.740507
N 5.353305 -2.660074 -0.125026
C -4.336123 -1.335774 0.128679
C -1.423281 1.117668 0.662066
C -0.876260 1.290037 -0.795342
C 0.494838 1.986546 -0.577111
C 0.941850 1.461038 0.811195
C -4.620148 -1.750001 -1.340468
C -5.753556 -0.986164 0.656487
C -5.710246 -0.750182 -1.830895
C -6.475492 -0.289581 -0.539504
C -2.198624 -0.206897 0.823933
C 3.054361 0.219148 0.144241
C 1.474135 -1.079629 1.102658
C 3.492835 -1.124453 0.279691
C 4.807174 -1.407432 -0.194321
C 4.999481 0.863005 -0.809861
H -3.846493 -2.133025 0.711652
H -2.077569 1.978633 0.898687
H -0.738963 0.312315 -1.284668
H 1.239960 1.760805 -1.358349
H 1.532895 2.212453 1.363788
H -5.018949 -2.781989 -1.339476
H -3.708947 -1.743801 -1.963151
H -5.715814 -0.364749 1.567631
H -6.269041 -1.929284 0.918206
H -6.385740 -1.219124 -2.567151
H -5.243220 0.115053 -2.337657
H -6.438380 0.810793 -0.436041
H -7.543663 -0.565752 -0.575552
H -3.674261 0.674814 -0.327028
H -1.534202 3.013312 -1.497661
H 1.013860 3.950192 -0.632544
H 0.507907 -1.328577 1.543878
H 5.632223 1.637615 -1.253666
H 6.297652 -2.808885 -0.474186
H 4.815565 -3.423252 0.280688


