%chk=000244289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244289

0 1
O -6.730970 0.511714 -0.061202
N 0.607542 0.295195 0.082806
C -1.862619 0.325362 -0.007978
C -0.610842 -0.567048 -0.021080
C 3.075309 0.432883 -0.006557
C 1.863309 -0.512742 -0.016191
C -3.142533 -0.519321 0.003626
C 4.390294 -0.355610 -0.012729
C -4.389061 0.370040 -0.007776
C 5.605224 0.583139 -0.003584
C -5.669652 -0.464684 0.024669
C 6.919474 -0.194314 -0.008585
H -1.832741 0.988145 0.881795
H -1.861498 1.002620 -0.883326
H -0.620161 -1.244904 0.861694
H -0.612285 -1.216729 -0.922836
H 3.024245 1.086203 0.888730
H 3.037334 1.115545 -0.876518
H 1.902487 -1.185460 0.869620
H 1.893912 -1.165827 -0.914917
H -3.151904 -1.172195 0.898686
H -3.154628 -1.198756 -0.870904
H 4.434387 -1.015875 -0.899995
H 4.432091 -1.028142 0.866006
H 0.593496 1.003405 -0.659280
H -4.384715 1.068725 0.853421
H -4.403061 1.022466 -0.904728
H 5.566740 1.258127 -0.880865
H 5.564036 1.241998 0.886187
H -5.778835 -1.032244 0.964698
H -5.750007 -1.147829 -0.838863
H 7.780193 0.483874 -0.000512
H 7.007128 -0.844802 0.869132
H 7.010502 -0.829083 -0.897176
H -7.597191 0.073725 0.015833


%chk=000244289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244289

0 1
O -6.862360 0.545859 -0.001900
N 0.609485 0.248433 -0.007278
C -1.880927 0.310318 0.005446
C -0.619479 -0.574427 -0.011530
C 3.096747 0.414519 0.002230
C 1.872876 -0.521579 -0.012217
C -3.191585 -0.508027 -0.002049
C 4.441357 -0.346578 -0.009350
C -4.450425 0.388419 0.004693
C 5.669465 0.592257 0.001376
C -5.749422 -0.421158 0.010517
C 7.011558 -0.171512 -0.005944
H -1.843456 0.961545 0.899878
H -1.868931 0.984619 -0.877599
H -0.605277 -1.211975 0.895785
H -0.670920 -1.272837 -0.888156
H 3.033454 1.063359 0.897350
H 3.053410 1.088917 -0.880287
H 1.886876 -1.158462 0.895492
H 1.952021 -1.217908 -0.888264
H -3.206972 -1.179052 0.882582
H -3.208707 -1.167285 -0.895512
H 4.490613 -1.001123 -0.904951
H 4.490587 -1.020700 0.871463
H 0.594830 0.938319 -0.773557
H -4.440512 1.048567 0.893300
H -4.450384 1.046728 -0.885750
H 5.620669 1.265118 -0.879209
H 5.619033 1.246671 0.895299
H -5.794213 -1.063295 0.918039
H -5.791129 -1.080187 -0.885120
H 7.872708 0.521789 0.002273
H 7.097863 -0.828709 0.880036
H 7.099321 -0.809690 -0.905662
H -7.723173 0.056670 0.029878


