%chk=000220384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220384

0 1
O -1.665157 2.086276 0.109591
O -1.775165 -1.069401 2.177689
O -3.520915 1.227103 1.061825
O 6.622492 -1.165789 -0.638134
O 6.425988 0.663965 -1.773312
N 5.983000 -0.205672 -1.038987
C -1.948951 -0.282769 -0.082302
C -2.794335 -0.607743 -1.338254
C -0.459600 -0.196355 -0.501200
C -4.290401 -0.808487 -1.067437
C 0.481955 0.244871 0.629467
C -2.031542 -1.358928 1.032289
C -2.487667 1.043170 0.464513
C -5.069319 -1.003448 -2.375121
C 1.915196 0.127747 0.200533
C -2.351633 -2.761967 0.624181
C -6.555977 -1.227813 -2.110814
C 2.700140 -0.953520 0.638195
C 2.478580 1.100714 -0.645682
C -2.043870 3.431902 0.554071
C 4.029769 -1.066431 0.238722
C 3.805802 0.997939 -1.052296
C 4.577311 -0.089577 -0.608870
C -1.686573 3.607562 2.013818
H -2.382454 -1.509776 -1.832978
H -2.662083 0.214955 -2.073500
H -0.136138 -1.178683 -0.899352
H -0.368759 0.524261 -1.342732
H -4.448006 -1.684210 -0.402248
H -4.707327 0.055892 -0.506604
H 0.246527 1.297971 0.915797
H 0.291229 -0.338112 1.557965
H -4.657164 -1.861499 -2.941179
H -4.938257 -0.117863 -3.028384
H -3.390654 -2.840486 0.251769
H -2.263931 -3.450207 1.479947
H -1.692807 -3.133224 -0.169882
H -6.731880 -2.125288 -1.507036
H -7.111535 -1.349165 -3.047800
H -7.003029 -0.382304 -1.573529
H 2.269405 -1.707048 1.298533
H 1.871751 1.942240 -0.981995
H -1.433386 4.051912 -0.126744
H -3.122055 3.574883 0.359836
H 4.651560 -1.903373 0.575455
H 4.255927 1.749814 -1.709786
H -2.288306 2.940885 2.652895
H -0.632863 3.375084 2.210418
H -1.871191 4.634492 2.351849


%chk=000220384-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220384

0 1
O -1.470221 2.019068 0.105185
O -2.214904 -0.947110 2.389298
O -3.509607 1.357509 1.005557
O 6.765444 -0.599728 -0.993466
O 6.205346 1.453163 -1.814930
N 5.919821 0.357227 -1.191812
C -2.028373 -0.364528 0.015877
C -2.862513 -0.716233 -1.267906
C -0.508776 -0.482964 -0.360722
C -4.402660 -0.647867 -1.155340
C 0.494264 -0.293796 0.812357
C -2.278922 -1.346153 1.199020
C -2.426062 1.058106 0.461055
C -5.090606 -1.161632 -2.441880
C 1.917261 -0.130966 0.305640
C -2.480385 -2.822261 0.876893
C -6.629825 -1.071423 -2.369853
C 2.891067 -1.146231 0.496393
C 2.294360 1.052126 -0.389277
C -1.797755 3.438386 0.465106
C 4.205254 -0.998462 0.009892
C 3.600429 1.222984 -0.881201
C 4.541639 0.188534 -0.675950
C -1.374778 3.739633 1.905054
H -2.567856 -1.736689 -1.585434
H -2.527958 -0.038183 -2.079523
H -0.340444 -1.472213 -0.830532
H -0.305027 0.277207 -1.134946
H -4.756123 -1.242957 -0.289357
H -4.725594 0.389452 -0.952569
H 0.198986 0.605534 1.382416
H 0.436112 -1.148780 1.509429
H -4.789259 -2.213442 -2.628403
H -4.725601 -0.576373 -3.311044
H -3.443866 -2.985680 0.360851
H -2.474851 -3.397430 1.815498
H -1.685984 -3.201802 0.207175
H -7.023374 -1.667210 -1.524945
H -7.100562 -1.446910 -3.296726
H -6.958935 -0.025998 -2.221998
H 2.616096 -2.059315 1.036409
H 1.551308 1.845144 -0.533515
H -1.229799 4.028839 -0.271787
H -2.882113 3.590947 0.325493
H 4.965751 -1.771066 0.150708
H 3.907194 2.128141 -1.411928
H -1.956472 3.132578 2.618235
H -0.299916 3.536576 2.054470
H -1.557509 4.806748 2.130230


