%chk=000183899.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183899

0 1
O -0.132053 -2.831370 0.018253
O -2.495733 -2.707182 0.072762
O -3.946730 0.019139 0.183782
O 2.166225 -2.582840 1.210312
N -0.254811 3.380353 -0.059148
C 0.492887 2.111128 0.243450
C -0.390731 0.874202 0.202865
C 1.604140 1.922284 -0.817307
C -1.777769 0.971435 0.195705
C 0.301252 -0.385378 0.161375
C -1.556575 3.426486 0.683503
C -2.462583 2.304311 0.163167
C 2.422056 0.710341 -0.472104
C 1.764806 -0.416613 0.093755
C -0.524900 -1.492885 0.096465
C -2.594094 -0.204683 0.164399
C -1.941877 -1.424024 0.118088
C 0.571935 4.574546 0.294948
C 2.584558 -1.479174 0.526703
C 3.800747 0.716191 -0.679260
C -1.362654 -3.625629 -0.013351
C 3.983405 -1.478133 0.322578
C 4.576665 -0.387989 -0.293675
C -4.785879 -1.167621 0.131113
H 0.965959 2.147071 1.265640
H 2.229943 2.833375 -0.888346
H 1.145995 1.805821 -1.824789
H -2.034167 4.410911 0.486172
H -1.433496 3.340600 1.784805
H -2.762196 2.518066 -0.888638
H -3.406972 2.273432 0.746834
H 1.520988 4.540382 -0.266365
H 0.807616 4.676610 1.364497
H 0.039820 5.481948 -0.034478
H 4.283071 1.575789 -1.136376
H -1.403533 -4.129374 -0.988797
H -1.376064 -4.265369 0.878287
H 4.560501 -2.336790 0.658905
H 5.652602 -0.379150 -0.469332
H 1.176829 -2.650681 1.317264
H -4.590518 -1.803751 1.000841
H -4.602640 -1.713839 -0.800260
H -5.792025 -0.735743 0.158859


%chk=000183899-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183899

0 1
O -0.144672 -2.882051 0.034882
O -2.504919 -2.765575 0.139674
O -3.986945 0.016051 0.257021
O 2.138460 -2.655786 1.247244
N -0.275692 3.365667 -0.136009
C 0.500380 2.133747 0.160330
C -0.376146 0.875594 0.190542
C 1.623463 1.885345 -0.875892
C -1.783777 0.967854 0.229391
C 0.315999 -0.394039 0.146886
C -1.502570 3.428690 0.695330
C -2.475297 2.318131 0.283791
C 2.471273 0.706978 -0.429827
C 1.803188 -0.441448 0.108062
C -0.541296 -1.500517 0.106732
C -2.607644 -0.206640 0.212551
C -1.946285 -1.440330 0.139301
C 0.535291 4.593984 0.009914
C 2.617611 -1.517345 0.599778
C 3.876540 0.766446 -0.502267
C -1.387720 -3.623630 -0.288504
C 4.031465 -1.441130 0.520000
C 4.660503 -0.313182 -0.031741
C -4.893798 -1.145511 0.312448
H 0.994111 2.227432 1.168665
H 2.266392 2.774515 -0.982281
H 1.145103 1.699778 -1.858624
H -1.977599 4.414590 0.541251
H -1.262664 3.341384 1.786990
H -2.901163 2.553063 -0.710686
H -3.328060 2.272229 0.985346
H 1.351664 4.618703 -0.730546
H 0.986908 4.702924 1.028841
H -0.107111 5.472109 -0.176974
H 4.356445 1.659730 -0.917397
H -1.424772 -3.771849 -1.385492
H -1.409147 -4.562632 0.281943
H 4.603509 -2.287882 0.910393
H 5.753830 -0.269355 -0.085424
H 1.218233 -2.920855 0.946015
H -4.676095 -1.775705 1.192102
H -4.812814 -1.754600 -0.604117
H -5.900182 -0.708679 0.393459


