%chk=000248776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248776

0 1
O 2.744932 -3.941733 -1.692615
O 1.031742 -2.736915 -2.233311
N 0.182676 1.557106 0.637087
N -1.041238 1.542942 -0.005708
N 1.918309 -3.072556 -1.466698
C 0.245023 0.455754 1.690039
C -1.229564 -0.025783 1.757122
C -1.881183 0.737462 0.609052
C 1.189046 -0.676349 1.352811
C 1.345295 1.918875 -0.130430
C -3.298141 0.603757 0.261308
C 1.115053 -1.325598 0.113173
C 2.141006 -1.090727 2.297248
C 1.995666 -2.380545 -0.157703
C 2.585153 1.991150 0.535475
C 1.247431 2.284160 -1.487240
C 3.014980 -2.145547 2.012153
C -3.995653 -0.579550 0.560603
C -3.968194 1.662528 -0.377569
C 2.951587 -2.798472 0.780798
C 3.713265 2.425054 -0.163338
C 2.387024 2.717815 -2.164182
C -5.346410 -0.697065 0.226044
C -5.319461 1.536725 -0.707770
C 3.622218 2.786914 -1.510291
C -6.010804 0.359251 -0.406330
H 0.548627 0.955817 2.643497
H -1.702216 0.236782 2.720281
H -1.332111 -1.117733 1.637474
H 0.383888 -1.014398 -0.644692
H 2.206213 -0.588557 3.264416
H 2.669734 1.726901 1.585304
H 0.287290 2.238650 -2.003465
H 3.751973 -2.457218 2.753590
H -3.487140 -1.410818 1.044654
H -3.427170 2.580216 -0.617736
H 3.631474 -3.622477 0.538799
H 4.672437 2.482885 0.350232
H 2.311971 3.001725 -3.214064
H -5.883168 -1.616294 0.456182
H -5.833949 2.359139 -1.203401
H 4.505904 3.122106 -2.047592
H -7.063915 0.263423 -0.665409


%chk=000248776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248776

0 1
O 2.750876 -4.472157 -1.591595
O 1.339567 -2.888968 -2.427828
N 0.316954 1.235277 0.258402
N -0.971775 1.338735 -0.261639
N 2.039140 -3.401489 -1.473655
C 0.395989 0.360082 1.469977
C -1.114039 0.023274 1.719352
C -1.810169 0.655526 0.510306
C 1.251906 -0.889714 1.249672
C 1.373204 2.005519 -0.270632
C -3.241876 0.552781 0.225032
C 1.269084 -1.538745 -0.005358
C 1.997560 -1.438304 2.323042
C 2.024642 -2.718687 -0.149844
C 2.670514 1.945275 0.311675
C 1.147874 2.858292 -1.388188
C 2.749140 -2.623870 2.155117
C -4.102045 -0.166105 1.103929
C -3.808228 1.171464 -0.929613
C 2.770569 -3.280918 0.908504
C 3.717818 2.727722 -0.219522
C 2.206358 3.628269 -1.906127
C -5.484606 -0.262630 0.838491
C -5.186944 1.071902 -1.189474
C 3.499035 3.573695 -1.329728
C -6.034784 0.354688 -0.307722
H 0.816357 0.934849 2.317609
H -1.484028 0.464583 2.662938
H -1.281763 -1.066479 1.772826
H 0.723301 -1.135065 -0.863466
H 1.992551 -0.932772 3.296778
H 2.872520 1.286368 1.161564
H 0.148347 2.901148 -1.826485
H 3.322347 -3.031920 2.993715
H -3.692087 -0.651583 1.996970
H -3.148679 1.722083 -1.607666
H 3.343719 -4.196059 0.740521
H 4.711880 2.669295 0.238304
H 2.019436 4.278623 -2.768284
H -6.132186 -0.820224 1.524308
H -5.606698 1.551068 -2.081018
H 4.316642 4.175968 -1.738979
H -7.107824 0.278008 -0.514413


