%chk=000279018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279018

0 1
O 3.837326 1.328149 -0.642185
O 2.679967 -2.074820 1.584727
O 4.286754 -0.490961 1.440451
N 0.809945 -0.240505 0.899321
C -0.384966 0.043565 0.016892
C -1.646588 -0.481492 0.730233
C -0.641970 1.553196 -0.071275
C -0.161569 -0.642586 -1.336462
C 2.152178 -0.178885 0.248935
C -2.769828 -0.865860 -0.019008
C -0.177816 2.419141 0.929857
C -0.376591 -2.026960 -1.447954
C -1.720356 -0.504298 2.130975
C -1.445071 2.069880 -1.101198
C 0.349990 0.054235 -2.440196
C 2.585491 1.294741 0.038977
C 3.173228 -0.867471 1.154268
C -3.929993 -1.306481 0.622314
C -0.462500 3.786340 0.870085
C -0.123691 -2.690238 -2.650397
C -2.881483 -0.949431 2.769875
C -1.729051 3.436354 -1.157948
C 0.602990 -0.611023 -3.644115
C -3.986987 -1.357181 2.018592
C -1.231662 4.300443 -0.177358
C 0.362328 -1.982714 -3.754802
C 3.532602 -2.862660 2.460996
H 0.692465 -1.181151 1.318291
H 2.206902 -0.706979 -0.748742
H -2.747990 -0.817367 -1.108200
H 0.400321 2.023326 1.767782
H -0.746792 -2.594101 -0.592606
H -0.879644 -0.157353 2.734719
H -1.862822 1.405854 -1.857980
H 0.568150 1.121839 -2.370148
H 2.651336 1.843656 0.994316
H 1.898728 1.819501 -0.653819
H -4.793669 -1.606609 0.031142
H -0.088017 4.450478 1.647369
H -0.302680 -3.761767 -2.726163
H -2.924810 -0.969572 3.857690
H -2.345246 3.827465 -1.965765
H 0.996140 -0.055247 -4.494816
H -4.890085 -1.703565 2.516867
H -1.450147 5.365176 -0.224918
H 0.557837 -2.499332 -4.692721
H 4.563403 1.017354 -0.039977
H 3.515095 -2.414298 3.458944
H 3.051740 -3.846282 2.442500
H 4.554109 -2.896801 2.066335


%chk=000279018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279018

0 1
O 3.973128 1.468856 -0.533357
O 2.537268 -2.026863 1.672452
O 4.398594 -0.770130 1.100997
N 0.814162 -0.174192 0.848872
C -0.391746 0.073847 -0.021427
C -1.629297 -0.481490 0.747237
C -0.690559 1.598094 -0.156802
C -0.181048 -0.643067 -1.383978
C 2.173053 -0.065246 0.275623
C -2.823916 -0.801036 0.051329
C -0.311662 2.483083 0.881670
C -0.422832 -2.038200 -1.502061
C -1.629152 -0.577844 2.162159
C -1.479669 2.104745 -1.220984
C 0.445472 0.016689 -2.474111
C 2.737603 1.390811 0.238676
C 3.154737 -0.952552 1.044752
C -3.975192 -1.228801 0.744584
C -0.678589 3.845253 0.844660
C -0.089980 -2.739732 -2.679920
C -2.780318 -1.012163 2.858229
C -1.847754 3.467437 -1.262284
C 0.783590 -0.682739 -3.655276
C -3.959332 -1.342690 2.154336
C -1.446050 4.347433 -0.231320
C 0.511306 -2.063711 -3.768126
C 3.430220 -2.966060 2.399379
H 0.712561 -1.076389 1.332855
H 2.225651 -0.430176 -0.780238
H -2.855307 -0.717784 -1.040338
H 0.273506 2.084080 1.716617
H -0.879547 -2.580003 -0.666359
H -0.735194 -0.290658 2.724628
H -1.812879 1.436613 -2.022495
H 0.673772 1.085769 -2.405536
H 2.871088 1.761518 1.277134
H 2.021699 2.045966 -0.277312
H -4.885253 -1.471112 0.184023
H -0.368805 4.513274 1.656567
H -0.297233 -3.813845 -2.748339
H -2.756738 -1.080406 3.951943
H -2.451863 3.839889 -2.097547
H 1.268392 -0.147047 -4.478982
H -4.853339 -1.674967 2.693773
H -1.731758 5.404875 -0.263328
H 0.769776 -2.607313 -4.683739
H 4.633564 0.872709 -0.085626
H 3.936378 -2.439421 3.225049
H 2.761468 -3.751680 2.776463
H 4.185024 -3.376922 1.709180


