%chk=000280049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280049

0 1
O -0.615693 1.879319 -1.287457
O -2.408931 -0.854817 1.094398
N -1.417590 2.278486 0.812919
N -3.255290 0.355142 -0.648919
C 2.014284 1.383536 -0.384285
C -1.018025 -2.715737 -0.512239
C 3.256799 0.688324 0.180162
C 0.345713 -2.172404 -0.068873
C 0.818821 1.271289 0.569834
C -1.892190 -1.630227 -1.152431
C 4.458533 0.841347 -0.762031
C 1.206646 -3.265611 0.578026
C -2.755643 2.634660 0.289993
C -3.720897 1.428170 0.259042
C -0.435487 1.811547 -0.079945
C -2.492400 -0.704836 -0.114301
C 5.695111 0.128419 -0.219744
C 2.412355 -2.678618 1.308150
H 1.741496 0.950378 -1.370108
H 2.228760 2.452127 -0.585732
H -1.550308 -3.144571 0.364216
H -0.880711 -3.545978 -1.231018
H 3.506504 1.099207 1.176611
H 3.047282 -0.395512 0.344018
H 0.192440 -1.333873 0.651245
H 0.883054 -1.733571 -0.931706
H 0.637136 0.195802 0.836763
H 1.045410 1.783478 1.524889
H -2.709465 -2.105220 -1.735174
H -1.297417 -1.047705 -1.888968
H 4.205426 0.441243 -1.763800
H 4.683059 1.915396 -0.915170
H 0.597990 -3.857840 1.290437
H 1.544826 -3.980821 -0.196716
H -3.179725 3.440947 0.928205
H -2.636636 3.062865 -0.735724
H -3.850652 1.003492 1.284867
H -4.726976 1.760566 -0.080852
H -1.397997 1.984348 1.787595
H -3.083106 0.657880 -1.608551
H 5.521973 -0.946956 -0.098774
H 6.548668 0.247889 -0.896783
H 5.994632 0.524570 0.757166
H 2.117167 -2.206123 2.252043
H 3.150497 -3.451915 1.545130
H 2.921757 -1.907593 0.702892


%chk=000280049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280049

0 1
O -0.366998 1.411780 -1.277095
O -3.987146 -1.527939 0.630673
N -1.053855 2.162131 0.809891
N -2.905056 0.190061 -0.502369
C 2.437283 1.674386 -0.415852
C -1.663649 -3.138338 -0.593183
C 3.799710 1.190061 0.126407
C -0.417538 -2.484612 0.045824
C 1.275602 1.377498 0.559289
C -2.590539 -2.120224 -1.306997
C 4.970925 1.477878 -0.840471
C 0.543484 -3.511670 0.686292
C -2.434211 2.456964 0.377468
C -3.377771 1.236022 0.414769
C -0.098172 1.655452 -0.053295
C -3.224622 -1.140708 -0.313310
C 6.331067 0.987110 -0.299072
C 1.782158 -2.853854 1.332571
H 2.213086 1.184816 -1.381894
H 2.481107 2.763062 -0.619464
H -2.252086 -3.661542 0.185073
H -1.341507 -3.903037 -1.328505
H 4.009008 1.671953 1.104881
H 3.749864 0.097718 0.323071
H -0.742644 -1.759514 0.820765
H 0.128288 -1.899047 -0.724377
H 1.301257 0.300157 0.824164
H 1.407208 1.942221 1.503501
H -3.416142 -2.666000 -1.801844
H -2.027139 -1.579449 -2.091811
H 4.762621 0.994624 -1.816450
H 5.021233 2.568022 -1.038362
H -0.006711 -4.097416 1.450409
H 0.870118 -4.237103 -0.086583
H -2.843292 3.251513 1.026428
H -2.379513 2.853458 -0.653334
H -3.451084 0.805470 1.431068
H -4.398823 1.572717 0.137861
H -0.805974 2.297481 1.791227
H -2.195736 0.462716 -1.196356
H 6.316320 -0.104794 -0.120830
H 7.150674 1.202154 -1.008969
H 6.577455 1.479668 0.660651
H 1.481911 -2.145058 2.128613
H 2.452407 -3.606100 1.787807
H 2.368619 -2.290192 0.581019


