%chk=000218032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218032

0 1
O 1.585131 -5.349993 0.088036
N -1.005061 0.489950 -0.057256
N -3.788790 1.360047 0.000159
N -8.713183 0.853150 -0.067280
C 0.296084 0.115079 -0.731060
C -1.400341 1.900720 -0.391641
C -2.122713 -0.424934 -0.471954
C -2.668911 2.276309 0.399097
C -3.401518 -0.056631 0.305796
C 1.430081 1.002524 -0.160600
C -5.057435 1.741675 0.705946
C 0.612933 -1.345649 -0.464692
C 2.756105 0.767783 -0.896555
C -6.249050 1.093148 -0.017195
C 0.617171 -1.850657 0.842323
C 0.929990 -2.197801 -1.538008
C 3.833248 1.660773 -0.343134
C -7.580967 1.613963 0.542364
C 0.933636 -3.188707 1.095379
C 1.251185 -3.531900 -1.314397
C 1.249620 -4.014804 0.010418
C 4.085650 2.912186 -0.926094
C 4.588956 1.250222 0.766410
C 5.084933 3.739466 -0.406462
C 5.586433 2.081254 1.282100
C 5.837555 3.326895 0.697433
C 1.614892 -5.964131 1.398253
H 0.233602 0.283946 -1.839938
H -0.570977 2.582061 -0.096544
H -1.580945 2.049382 -1.479015
H -2.323228 -0.386842 -1.564735
H -1.841739 -1.471659 -0.225140
H -2.451547 2.245310 1.489109
H -2.961194 3.317113 0.144867
H -4.230351 -0.721889 -0.019696
H -3.241669 -0.234326 1.391811
H 1.552786 0.803372 0.922656
H 1.148483 2.073649 -0.229011
H -5.060110 1.461317 1.781029
H -5.159585 2.848510 0.665508
H 3.053930 -0.299008 -0.805818
H 2.627506 0.940221 -1.983689
H -6.210043 -0.011034 0.082381
H -6.175145 1.291939 -1.105189
H 0.357655 -1.188850 1.672394
H 0.926108 -1.813821 -2.558232
H -7.657879 2.711627 0.385879
H -7.625885 1.442517 1.642090
H 0.929412 -3.561972 2.113042
H 1.500440 -4.205697 -2.130193
H 3.503412 3.240266 -1.784064
H 4.396447 0.282624 1.225827
H -8.660020 0.880638 -1.081089
H -9.599267 1.275013 0.193438
H 5.277653 4.708364 -0.863683
H 6.170306 1.757338 2.141911
H 6.615245 3.971550 1.099650
H 0.622214 -5.931887 1.856130
H 1.902726 -6.995523 1.156046
H 2.370429 -5.483887 2.026380


%chk=000218032-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218032

0 1
O 1.678361 -5.422080 0.134245
N -1.028911 0.459285 -0.052812
N -3.807595 1.374388 0.087919
N -8.791185 1.031887 -0.208982
C 0.273132 0.121083 -0.716592
C -1.374133 1.904753 -0.048391
C -2.148661 -0.310600 -0.662171
C -2.696641 2.140722 0.701149
C -3.467025 -0.069222 0.086130
C 1.431882 1.028318 -0.211440
C -5.107444 1.672772 0.737763
C 0.604061 -1.355505 -0.476344
C 2.804032 0.682709 -0.852834
C -6.317617 1.104980 -0.030656
C 0.561325 -1.894538 0.831224
C 1.002672 -2.205616 -1.538924
C 3.898940 1.629492 -0.383557
C -7.657101 1.635167 0.520959
C 0.908705 -3.240061 1.085513
C 1.354437 -3.549577 -1.308044
C 1.310823 -4.070964 0.008562
C 4.211688 2.807971 -1.109499
C 4.609518 1.371414 0.817943
C 5.202638 3.705017 -0.649233
C 5.601047 2.264111 1.283101
C 5.901050 3.436647 0.550791
C 1.642800 -6.008816 1.474845
H 0.192049 0.279768 -1.826644
H -0.584237 2.473709 0.469229
H -1.472474 2.306718 -1.089264
H -2.288644 -0.026114 -1.736046
H -1.900570 -1.385233 -0.624696
H -2.548739 1.859611 1.776350
H -2.945007 3.218488 0.662140
H -4.270618 -0.633467 -0.418494
H -3.369854 -0.464059 1.130925
H 1.504163 0.941354 0.890402
H 1.213249 2.087242 -0.442592
H -5.133635 1.299378 1.796812
H -5.203097 2.776585 0.786575
H 3.069834 -0.360672 -0.603770
H 2.704519 0.734922 -1.955660
H -6.348939 0.001120 0.018537
H -6.212537 1.384324 -1.098732
H 0.223697 -1.250499 1.651044
H 1.034795 -1.812145 -2.562619
H -7.639743 2.753741 0.487224
H -7.749231 1.350291 1.587674
H 0.858929 -3.625818 2.108595
H 1.659786 -4.210610 -2.124936
H 3.678866 3.020030 -2.045432
H 4.387186 0.459506 1.386806
H -8.776446 1.220787 -1.216878
H -9.710595 1.224041 0.200569
H 5.432977 4.607898 -1.226770
H 6.142370 2.044460 2.210714
H 6.672057 4.128901 0.907721
H 0.620189 -5.984096 1.900112
H 1.962373 -7.052756 1.340429
H 2.340935 -5.490847 2.161508


