%chk=000213811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213811

0 1
O 0.007777 -2.274201 0.138356
N -2.776617 0.570754 -0.039570
C -1.977164 -0.241689 -1.013261
C -2.127980 -1.738069 -0.689607
C -2.201854 1.945922 0.135376
C -4.221439 0.624791 -0.445004
C -1.365853 -2.116640 0.580551
C 0.997790 -2.062525 1.172709
C -1.009600 1.888502 1.091792
C -5.087253 1.012221 0.755213
C 2.324173 -2.005582 0.409726
C 2.672781 -0.621470 -0.062902
C 1.729325 0.136795 -0.774954
C 3.946175 -0.086852 0.182374
C 2.056909 1.412146 -1.235974
C 4.269745 1.191700 -0.282600
C 3.328800 1.943218 -0.991970
H -0.891786 0.024551 -0.922595
H -2.257311 -0.051983 -2.070218
H -1.735291 -2.335852 -1.538014
H -3.194905 -2.009187 -0.574356
H -2.984107 2.606151 0.573513
H -1.900582 2.412635 -0.826782
H -4.522917 -0.387760 -0.796514
H -4.406177 1.321043 -1.291197
H -1.442347 -1.333251 1.355499
H -1.688035 -3.088075 0.990638
H 0.958324 -2.919180 1.867113
H 0.779035 -1.127492 1.716862
H -1.286190 1.391341 2.030427
H -0.168323 1.324327 0.669912
H -0.649189 2.893014 1.333389
H -4.865160 0.370496 1.618713
H -4.906542 2.045066 1.074364
H -6.151594 0.911526 0.522516
H 2.243721 -2.676319 -0.479922
H 3.131328 -2.433970 1.034844
H 0.729660 -0.285269 -0.957193
H 4.686098 -0.663051 0.732671
H 1.322351 1.995450 -1.788055
H 5.259588 1.601741 -0.090444
H 3.583535 2.936325 -1.353524


%chk=000213811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213811

0 1
O -0.003995 -2.017026 -0.104769
N -2.814554 0.606100 -0.016025
C -2.221136 -0.216179 -1.105695
C -2.304846 -1.731603 -0.810371
C -2.132256 1.918001 0.160445
C -4.291330 0.729666 -0.145978
C -1.399964 -2.135966 0.356059
C 0.962269 -2.161230 0.986690
C -0.783230 1.794819 0.894452
C -4.996076 1.028862 1.191610
C 2.380346 -2.029780 0.396566
C 2.720536 -0.627915 -0.089025
C 2.215651 -0.141309 -1.323912
C 3.539728 0.228787 0.690458
C 2.522825 1.165322 -1.764915
C 3.846633 1.538708 0.254230
C 3.339228 2.011527 -0.977508
H -1.154278 0.047336 -1.208437
H -2.706887 0.002270 -2.088895
H -2.006984 -2.303702 -1.710968
H -3.347941 -2.016557 -0.569997
H -2.799436 2.569600 0.754206
H -1.981946 2.432414 -0.822861
H -4.674907 -0.231881 -0.536565
H -4.570385 1.507838 -0.902680
H -1.579482 -1.454836 1.215378
H -1.594143 -3.184161 0.674598
H 0.845845 -3.160870 1.464329
H 0.783444 -1.382069 1.760894
H -0.938389 1.363318 1.899674
H -0.073299 1.147667 0.349538
H -0.310173 2.788729 1.005648
H -4.768392 0.236577 1.926156
H -4.671863 1.993556 1.622162
H -6.092112 1.078091 1.049335
H 2.461431 -2.758169 -0.432508
H 3.100110 -2.340931 1.177980
H 1.573723 -0.792204 -1.927234
H 3.944601 -0.133757 1.644169
H 2.127491 1.523644 -2.722655
H 4.483729 2.184471 0.869738
H 3.579313 3.024140 -1.321413


