%chk=000203160.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203160

0 1
O 4.594732 0.264013 0.151279
O -2.160422 1.251563 -0.438436
O 2.354332 -3.114780 1.323240
O 4.645331 -1.854220 0.934624
N -6.355509 0.545440 -0.221973
N -1.702726 -0.867829 0.355306
C -4.935207 0.989274 -0.370621
C -7.227642 1.625214 0.347236
C -6.899754 0.020710 -1.519533
C -4.037346 -0.202382 0.022236
C -6.909883 1.832950 1.828404
C -8.105958 -0.880464 -1.251938
C -2.579480 0.179733 -0.060563
C -0.283841 -0.824329 0.388612
C 6.416001 1.674054 -0.296904
C 7.935418 1.880942 -0.321841
C 6.067976 0.275742 0.196496
C 2.534434 -0.837094 0.488318
C 0.378781 -1.977961 0.836928
C 0.450295 0.321653 -0.009515
C 1.782595 -1.975543 0.883385
C 1.831021 0.304416 0.043431
C 8.299065 3.278934 -0.814535
C 3.984515 -0.888308 0.555988
H -4.713524 1.848042 0.302569
H -4.677325 1.337147 -1.394242
H -7.137109 2.586113 -0.204037
H -8.287906 1.298578 0.245244
H -7.177258 0.831493 -2.227813
H -6.104760 -0.576305 -2.019196
H -4.259090 -1.072189 -0.631232
H -4.315288 -0.534668 1.047157
H -6.937581 0.879358 2.372589
H -7.636483 2.506648 2.294413
H -5.912276 2.260501 1.981065
H -8.416530 -1.402863 -2.162458
H -8.967258 -0.314130 -0.879084
H -7.870138 -1.636471 -0.490652
H -2.123634 -1.748875 0.669166
H 5.984508 1.835162 -1.305750
H 5.930312 2.432826 0.349844
H 8.356269 1.720968 0.691012
H 8.410764 1.120318 -0.973042
H 6.430322 -0.533243 -0.459686
H 6.374292 0.079639 1.237713
H -0.147668 -2.875189 1.150862
H -0.079067 1.215542 -0.356647
H 2.408210 1.184152 -0.261714
H 7.930321 3.459391 -1.831140
H 7.876063 4.058786 -0.170383
H 9.385831 3.422156 -0.830711
H 3.390974 -3.065614 1.340029


%chk=000203160-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203160

0 1
O 4.597508 0.460441 0.217788
O -2.251040 0.952037 -1.400813
O 2.212508 -2.349373 2.331998
O 4.493464 -1.275220 1.763429
N -6.436163 0.482999 -0.193056
N -1.766129 -0.718662 0.184479
C -4.997585 0.842057 -0.169352
C -7.243822 1.226154 0.812161
C -7.013482 0.543713 -1.564586
C -4.104573 -0.380342 -0.519257
C -7.032498 0.715287 2.250223
C -8.231673 -0.381462 -1.747838
C -2.633643 0.019448 -0.634359
C -0.358838 -0.610963 0.328840
C 6.630628 1.583472 -0.498654
C 8.165883 1.721932 -0.359076
C 6.077863 0.506980 0.433971
C 2.454737 -0.501775 0.714128
C 0.263265 -1.502286 1.235213
C 0.420135 0.344806 -0.395622
C 1.658099 -1.458737 1.436237
C 1.804466 0.381562 -0.191001
C 8.743856 2.805158 -1.294675
C 3.900408 -0.482478 0.947137
H -4.734168 1.194392 0.844183
H -4.751080 1.670525 -0.872417
H -7.041976 2.326438 0.767028
H -8.308560 1.094167 0.547909
H -7.287187 1.592970 -1.841714
H -6.226096 0.234794 -2.277652
H -4.420766 -0.780449 -1.501153
H -4.277165 -1.176375 0.228126
H -7.288671 -0.356658 2.313761
H -7.672667 1.275873 2.956826
H -5.985493 0.836805 2.583515
H -8.608707 -0.322402 -2.785936
H -9.064093 -0.106901 -1.074758
H -7.951295 -1.426867 -1.530619
H -2.209884 -1.440751 0.757214
H 6.370683 1.329940 -1.544287
H 6.144651 2.551328 -0.269865
H 8.421470 1.966033 0.692001
H 8.646809 0.747462 -0.579985
H 6.492912 -0.494263 0.216291
H 6.265512 0.735143 1.499454
H -0.313131 -2.242733 1.800628
H -0.074834 1.024047 -1.089730
H 2.417603 1.105472 -0.735525
H 8.527411 2.570951 -2.353769
H 8.305002 3.795969 -1.073444
H 9.840139 2.888258 -1.183584
H 3.221908 -2.178916 2.353688


