%chk=000206046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206046

0 1
O 4.691119 0.779830 -0.507575
O -5.820715 0.505786 -0.908347
O -4.309555 2.145783 -0.778261
N -0.678413 -0.486592 0.290289
C -1.709979 0.448078 0.525084
C -2.907463 -0.272228 0.600254
C -1.240100 -1.785086 0.216474
C -2.611065 -1.659703 0.405684
C 0.715401 -0.174474 0.122280
C -4.258522 0.289110 0.850019
C -1.487193 1.900299 0.659943
C -0.423771 -2.992707 -0.024987
C 1.140621 0.496788 -1.045050
C 1.634773 -0.542208 1.113965
C 2.482809 0.799223 -1.213091
C 2.991704 -0.247918 0.952725
C 3.403235 0.421440 -0.207578
C -4.722090 1.102208 -0.327039
C 5.747212 0.457071 0.457004
C 6.993827 1.004352 -0.208119
H -3.329709 -2.452369 0.403915
H -4.249472 0.940604 1.754260
H -4.985917 -0.528966 1.063737
H -1.604132 2.226552 1.703913
H -0.493168 2.224706 0.325887
H -2.232427 2.461079 0.059477
H 0.344504 -2.828316 -0.795557
H 0.091710 -3.321638 0.889484
H -1.050029 -3.830697 -0.365936
H 0.409927 0.773301 -1.808414
H 1.292182 -1.057167 2.012899
H 2.846128 1.317710 -2.098962
H 3.697261 -0.537272 1.724221
H 5.512877 0.960512 1.410419
H 5.775459 -0.638141 0.587184
H -6.154570 1.000155 -1.701820
H 7.884861 0.829043 0.405392
H 7.159198 0.539611 -1.190753
H 6.909683 2.086040 -0.386321


%chk=000206046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206046

0 1
O 4.748307 0.826784 -0.522572
O -5.721257 0.059029 -1.034955
O -4.687521 2.128447 -0.837623
N -0.718578 -0.445257 0.287158
C -1.736451 0.504560 0.532195
C -2.943056 -0.204918 0.641951
C -1.277797 -1.742929 0.234873
C -2.652236 -1.603814 0.446287
C 0.676617 -0.133826 0.110300
C -4.310744 0.398515 0.902507
C -1.456878 1.975667 0.656752
C -0.457714 -2.969721 -0.050481
C 1.106975 0.590938 -1.030944
C 1.629448 -0.547985 1.067137
C 2.466934 0.897987 -1.207119
C 3.000959 -0.256341 0.895066
C 3.421090 0.473063 -0.246639
C -4.897605 0.985000 -0.373600
C 5.789325 0.416090 0.442262
C 7.121422 0.920624 -0.105345
H -3.375860 -2.418261 0.450418
H -4.248857 1.218127 1.640157
H -4.995795 -0.372589 1.290204
H -0.595376 2.177392 1.320701
H -1.240199 2.451060 -0.318951
H -2.342415 2.490607 1.064250
H 0.127296 -2.869667 -0.984903
H 0.261633 -3.206122 0.757030
H -1.129471 -3.836942 -0.162946
H 0.370066 0.901651 -1.778701
H 1.293003 -1.091221 1.956526
H 2.815956 1.456465 -2.080748
H 3.717807 -0.589055 1.650950
H 5.566911 0.860223 1.434415
H 5.786050 -0.689231 0.539246
H -6.034346 0.457690 -1.892480
H 7.943096 0.641539 0.578992
H 7.326317 0.481269 -1.096339
H 7.109143 2.018951 -0.208331


