%chk=000216750.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216750

0 1
O -6.259212 -0.031068 -1.249882
O -6.024444 1.300912 0.562159
N 0.758280 -0.899947 1.454575
N -2.060117 -0.361833 1.023676
C 0.076624 -1.319104 0.186766
C -0.224614 -0.943602 2.588445
C -1.078321 -0.343357 -0.111288
C -1.370269 0.045844 2.292644
C 1.942786 -1.768020 1.763091
C -3.227191 0.533923 0.742096
C 2.958416 -1.778923 0.642940
C -4.245949 -0.265142 -0.089419
C 3.569098 -0.610301 0.146356
C 3.337593 -3.027723 0.120832
C 3.201811 0.764785 0.636002
C 4.568039 -0.722756 -0.837724
C -5.561378 0.448499 -0.158291
C 4.321169 -3.126100 -0.863582
C 2.187159 1.484176 -0.217909
C 4.943433 -1.968238 -1.340529
C 1.987221 1.176908 -1.571518
C 1.438173 2.522764 0.366407
C 1.056805 1.896440 -2.327642
C 0.512015 3.238490 -0.393522
C 0.317662 2.928615 -1.744274
C -7.589115 0.508033 -1.468078
H -0.305413 -2.361334 0.225535
H 0.818538 -1.263845 -0.641265
H 0.293838 -0.633678 3.519719
H -0.643902 -1.958947 2.761501
H -0.660773 0.672593 -0.304625
H -1.602595 -0.667563 -1.034045
H -2.109169 0.007809 3.121150
H -0.964809 1.080856 2.247805
H 1.649629 -2.811182 2.023420
H 2.428229 -1.346974 2.676484
H -3.706498 0.845507 1.699169
H -2.952129 1.471555 0.212978
H -3.857798 -0.477216 -1.108147
H -4.394006 -1.273520 0.366150
H 2.859841 -3.934658 0.489767
H 2.810047 0.698263 1.678380
H 4.113946 1.398703 0.707490
H 5.052312 0.177739 -1.214668
H 4.604441 -4.100331 -1.256294
H 5.717802 -2.038250 -2.101998
H 2.552211 0.373770 -2.041911
H 1.573938 2.763674 1.418392
H 0.911313 1.650705 -3.378197
H -0.060338 4.042228 0.066260
H -0.400937 3.489929 -2.335557
H -7.827079 0.164230 -2.479800
H -7.571462 1.600990 -1.399508
H -8.267852 0.084670 -0.721815


%chk=000216750-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216750

0 1
O -6.343344 0.015488 -1.355058
O -6.132847 1.116993 0.685208
N 0.712525 -1.010596 1.403251
N -2.114110 -0.429354 1.072580
C -0.045988 -1.540242 0.245762
C -0.180086 -0.836811 2.573332
C -1.216920 -0.608146 -0.101602
C -1.338410 0.108650 2.220211
C 1.921326 -1.803385 1.728451
C -3.298062 0.410622 0.774618
C 2.979757 -1.809847 0.628380
C -4.287891 -0.309697 -0.162028
C 3.612266 -0.614880 0.166481
C 3.390481 -3.057543 0.093301
C 3.232591 0.768402 0.677900
C 4.642698 -0.723224 -0.803721
C -5.647014 0.365849 -0.191558
C 4.410232 -3.149492 -0.879168
C 2.249115 1.563136 -0.194527
C 5.045333 -1.970684 -1.328208
C 2.008519 1.260486 -1.557146
C 1.574329 2.674656 0.375874
C 1.119651 2.046595 -2.328491
C 0.689033 3.463793 -0.389727
C 0.456652 3.152448 -1.750761
C -7.716847 0.563938 -1.469988
H -0.446423 -2.564696 0.459776
H 0.633241 -1.610917 -0.622075
H 0.404866 -0.405592 3.408506
H -0.605497 -1.814453 2.917275
H -0.807457 0.371774 -0.449584
H -1.791161 -1.056987 -0.932053
H -2.015515 0.203941 3.089643
H -0.915710 1.119265 1.990749
H 1.662724 -2.866103 1.973958
H 2.351897 -1.366163 2.653241
H -3.818764 0.626037 1.725075
H -3.010697 1.397724 0.330927
H -3.916606 -0.392810 -1.197495
H -4.426273 -1.344699 0.210380
H 2.901022 -3.971549 0.452207
H 2.793571 0.695160 1.687952
H 4.160017 1.371214 0.775877
H 5.142064 0.192748 -1.144361
H 4.708289 -4.126707 -1.275016
H 5.846372 -2.021083 -2.074203
H 2.509599 0.402645 -2.018346
H 1.741486 2.918921 1.432892
H 0.947174 1.793484 -3.381241
H 0.179198 4.316908 0.072959
H -0.230262 3.762068 -2.348685
H -8.094321 0.176366 -2.426559
H -7.689811 1.666591 -1.469479
H -8.339012 0.218752 -0.626982


