%chk=000212328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212328

0 1
O 0.020835 0.494349 0.580680
O 0.682750 -0.314075 -1.418675
N -3.346066 -0.981406 0.030544
C 2.387212 0.279052 0.275789
C 3.327241 -0.741458 -0.414987
C 2.415849 -0.134940 1.771805
C 3.232566 -2.035912 0.408688
C 2.736708 -1.638292 1.812159
C 2.757333 1.739982 0.091944
C 0.982115 0.096127 -0.322404
C -3.692628 -1.081417 -1.426907
C -4.013795 -2.068767 0.820347
C -5.213767 -0.953227 -1.609442
C -5.540453 -1.956513 0.669018
C -5.957171 -2.026987 -0.805264
C -1.861624 -1.013096 0.224176
C -1.378227 0.442238 0.165056
C 2.014796 2.715817 0.781540
C 3.808511 2.145385 -0.739551
C 2.331741 4.068052 0.652554
C 4.123643 3.502834 -0.868616
C 3.390439 4.465919 -0.172255
H 4.366255 -0.364733 -0.417509
H 3.045003 -0.904578 -1.471654
H 1.460551 0.094680 2.276192
H 3.194394 0.444462 2.300885
H 4.207210 -2.548520 0.455067
H 2.531742 -2.746332 -0.065039
H 1.843494 -2.223478 2.090526
H 3.498369 -1.855105 2.579823
H -3.180723 -0.248963 -1.956932
H -3.333384 -2.026246 -1.889116
H -3.678039 -3.084711 0.521208
H -3.737600 -1.931158 1.888315
H -5.540087 0.052818 -1.277444
H -5.466647 -1.026746 -2.682428
H -6.031218 -2.757635 1.250088
H -5.881633 -0.996105 1.105519
H -7.049566 -1.886290 -0.899777
H -5.738977 -3.030607 -1.216269
H -1.318138 -1.622550 -0.531902
H -1.598237 -1.442798 1.214125
H -1.471815 0.884117 -0.840571
H -1.861292 1.085025 0.922617
H 1.175636 2.409285 1.410742
H 4.390201 1.410663 -1.295797
H 1.751947 4.815254 1.192065
H 4.943443 3.806146 -1.517837
H 3.637305 5.520839 -0.272795


%chk=000212328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212328

0 1
O 0.008679 0.513967 0.770321
O 0.661032 -0.252860 -1.327423
N -3.384475 -1.020660 0.097861
C 2.402749 0.312940 0.369045
C 3.366303 -0.633447 -0.419858
C 2.520792 -0.235386 1.820372
C 3.294175 -2.019339 0.298000
C 2.517684 -1.772246 1.633063
C 2.744309 1.805879 0.193776
C 0.962986 0.132685 -0.172972
C -3.415134 -1.418472 -1.334403
C -4.306932 -1.847459 0.916090
C -4.834807 -1.273313 -1.917273
C -5.756559 -1.717324 0.402517
C -5.846825 -2.101383 -1.092432
C -2.009102 -0.939254 0.636827
C -1.419259 0.452492 0.337241
C 2.847066 2.686857 1.299177
C 2.949013 2.328367 -1.111470
C 3.165056 4.050970 1.108335
C 3.263345 3.690777 -1.304241
C 3.375780 4.559044 -0.193294
H 4.386418 -0.212883 -0.361981
H 3.083335 -0.699136 -1.483260
H 1.715712 0.120377 2.482862
H 3.492132 0.094038 2.238000
H 4.310429 -2.405512 0.494902
H 2.778046 -2.768855 -0.327238
H 1.475146 -2.133183 1.542812
H 2.970134 -2.297640 2.492552
H -2.702289 -0.788996 -1.896702
H -3.076214 -2.481767 -1.455071
H -4.010061 -2.930069 0.898362
H -4.244735 -1.505028 1.966019
H -5.122870 -0.204536 -1.894886
H -4.832645 -1.599481 -2.975134
H -6.421973 -2.357997 1.012918
H -6.083902 -0.667786 0.534359
H -6.875358 -1.947351 -1.469944
H -5.617596 -3.181352 -1.208511
H -1.336414 -1.721787 0.211251
H -2.036981 -1.088836 1.731724
H -1.475567 0.685199 -0.739558
H -1.923981 1.232817 0.925756
H 2.674893 2.313221 2.313313
H 2.852615 1.665760 -1.979233
H 3.243748 4.716521 1.975670
H 3.418140 4.074790 -2.318997
H 3.620166 5.617035 -0.340942


