%chk=000201217.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201217

0 1
O -0.006145 1.028458 -0.014283
O 1.124035 2.982774 -0.035936
O 6.915655 -0.987162 0.015085
O 5.676422 -2.761504 0.036361
N -6.693912 -1.876418 0.014330
N 5.836233 -1.553150 0.021535
C -2.324656 0.677552 -0.012048
C -3.736798 1.276779 -0.020432
C -1.271511 1.778617 -0.024280
C -4.768020 0.181846 -0.008357
C -5.253548 -0.355305 -1.209723
C -5.256775 -0.325668 1.204523
C 2.343421 0.883126 -0.010260
C 1.147580 1.773632 -0.021817
C 3.610126 1.488162 -0.017089
C 2.212850 -0.512735 0.006899
C -6.212490 -1.378444 -1.154773
C -6.215605 -1.349883 1.172135
C 4.615918 -0.701280 0.010420
C 4.757210 0.693292 -0.006714
C 3.355688 -1.314664 0.017364
H -2.182125 0.007368 -0.885523
H -2.183668 0.028425 0.877432
H -3.875120 1.947521 0.853686
H -3.873566 1.926547 -0.910497
H -1.287408 2.401777 -0.934703
H -1.288955 2.423318 0.870991
H -4.897008 0.010271 -2.168809
H -4.902792 0.063337 2.155304
H 3.690514 2.581104 -0.030507
H 1.216040 -0.966548 0.011987
H -6.619196 -1.825070 -2.070022
H -6.624770 -1.773917 2.096984
H 5.756523 1.144292 -0.011778
H 3.277652 -2.408051 0.030816


%chk=000201217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201217

0 1
O 0.028396 0.872984 -0.010049
O 1.159358 2.911189 -0.042193
O 7.182066 -0.773416 0.008742
O 5.982467 -2.712838 0.044328
N -6.956899 -1.771084 0.008306
N 6.068878 -1.425596 0.022031
C -2.380987 0.578287 -0.009039
C -3.780060 1.259079 -0.017275
C -1.263643 1.620568 -0.020620
C -4.900790 0.233133 -0.008531
C -5.431334 -0.293413 -1.213400
C -5.431575 -0.272822 1.205004
C 2.425342 0.824393 -0.010497
C 1.182318 1.656254 -0.022526
C 3.673754 1.499150 -0.023980
C 2.379281 -0.593785 0.013837
C -6.442460 -1.279003 -1.158696
C -6.442677 -1.259222 1.166862
C 4.802360 -0.642508 0.010780
C 4.874960 0.767645 -0.013522
C 3.573767 -1.338182 0.024721
H -2.282253 -0.081683 -0.890650
H -2.282813 -0.061275 0.887542
H -3.866200 1.920546 0.866586
H -3.864348 1.903019 -0.914155
H -1.290169 2.258762 -0.923621
H -1.291958 2.280600 0.866503
H -5.069261 0.061900 -2.185125
H -5.069702 0.098991 2.170609
H 3.678251 2.593345 -0.042529
H 1.409327 -1.096884 0.024027
H -6.868545 -1.695918 -2.078552
H -6.868924 -1.660450 2.093594
H 5.851702 1.257371 -0.023641
H 3.574169 -2.430736 0.043431


