%chk=000105254.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105254

0 1
O -3.039871 -0.426935 0.051153
O -3.675424 1.373335 -1.140554
N -1.810500 3.348313 -1.473328
N 6.535091 -1.223501 -1.663868
C 1.775624 -0.105436 1.329547
C 0.819607 0.771888 0.567391
C 3.028965 -0.408340 0.551647
C -1.406288 1.224877 -0.327641
C -0.499395 0.394970 0.371785
C -4.341274 -2.299164 0.606985
C 1.268014 2.013140 0.046551
C -5.700957 -3.006431 0.557488
C -4.404025 -0.951164 -0.101274
C -0.954282 2.475314 -0.831744
C 0.411509 2.848946 -0.637269
C -2.786551 0.793802 -0.533396
C 4.289900 -0.106563 1.084780
C 2.945357 -1.010282 -0.715023
C -5.652711 -4.358812 1.263630
C 5.454076 -0.403484 0.376826
C 4.095554 -1.313032 -1.437992
C 5.361907 -1.005822 -0.894476
H 1.289033 -1.064488 1.613271
H 2.019731 0.385972 2.296699
H -4.014544 -2.155596 1.656726
H -3.556549 -2.930037 0.143010
H -0.871015 -0.560721 0.755760
H -6.016767 -3.146191 -0.495666
H -6.476773 -2.368255 1.025766
H 2.313633 2.297508 0.190113
H -4.621751 -1.024473 -1.180014
H -5.094980 -0.232324 0.369990
H 0.767325 3.797634 -1.029813
H 4.368873 0.364317 2.064131
H 1.965699 -1.237193 -1.137646
H -4.920901 -5.031337 0.801078
H -5.378788 -4.254500 2.320007
H -6.627100 -4.859489 1.226034
H 6.423714 -0.156823 0.799384
H 4.015839 -1.768486 -2.421047
H -2.768861 3.069791 -1.687663
H -1.461178 4.171544 -1.927124
H 6.464497 -1.928154 -2.384110
H 7.394636 -1.311217 -1.140807


%chk=000105254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105254

0 1
O -3.080628 -0.521077 0.099413
O -3.746507 1.387294 -1.049202
N -1.890609 3.258564 -1.541320
N 6.885517 -1.176888 -1.526270
C 1.880508 -0.161656 1.228756
C 0.879216 0.712719 0.475619
C 3.199114 -0.405881 0.496071
C -1.420302 1.155401 -0.340309
C -0.464314 0.334370 0.328936
C -4.548958 -2.369707 0.676067
C 1.278419 1.966036 -0.079923
C -5.977738 -2.961524 0.634462
C -4.487424 -1.001456 -0.003785
C -1.004921 2.423677 -0.888474
C 0.368598 2.799179 -0.739361
C -2.820398 0.726463 -0.476201
C 4.446148 -0.173699 1.127145
C 3.220478 -0.898631 -0.835129
C -6.063436 -4.344973 1.313901
C 5.669199 -0.424031 0.470030
C 4.429867 -1.156430 -1.507329
C 5.680508 -0.923654 -0.862776
H 1.391686 -1.130251 1.457491
H 2.109321 0.301427 2.210413
H -4.213836 -2.271737 1.726789
H -3.842021 -3.058970 0.175036
H -0.813703 -0.620768 0.734377
H -6.311759 -3.045310 -0.419830
H -6.681379 -2.261967 1.129947
H 2.327382 2.274705 0.006654
H -4.765794 -1.054044 -1.073043
H -5.149690 -0.262497 0.485059
H 0.701502 3.757941 -1.155947
H 4.464197 0.209959 2.155680
H 2.270410 -1.075707 -1.354450
H -5.391104 -5.071546 0.820240
H -5.767365 -4.283283 2.377937
H -7.090468 -4.751383 1.271680
H 6.618441 -0.232791 0.986466
H 4.414124 -1.537905 -2.536377
H -2.866973 2.951585 -1.625045
H -1.574741 4.147785 -1.919205
H 6.891003 -1.532098 -2.477425
H 7.776533 -1.014139 -1.067471


