%chk=000210878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210878

0 1
O -2.250673 -1.139741 -1.592778
O 2.268410 -1.143858 -1.574853
O -3.654374 -1.352439 0.158820
O 3.658856 -1.425174 0.178028
N -0.011537 -2.288972 2.397894
N 0.140742 4.732466 -0.229794
C 0.006357 -1.010527 -0.171811
C -1.259634 -1.511117 0.496933
C 1.259752 -1.533891 0.502909
C 0.017669 0.509577 -0.170647
C -1.245313 -2.064004 1.741256
C 1.229873 -2.088916 1.745563
C -2.507590 -1.328213 -0.250969
C 2.515460 -1.365242 -0.237212
C -0.024285 1.202807 -1.389291
C 0.070174 1.233604 1.029014
C -2.435765 -2.506873 2.519162
C 2.407247 -2.556738 2.528312
C -0.018231 2.596286 -1.419463
C 0.077862 2.627018 1.022543
C 0.039177 3.316254 -0.207926
C -3.384753 -0.829178 -2.462106
C 3.408920 -0.806914 -2.427181
C -3.725091 0.641532 -2.331359
C 3.731898 0.663732 -2.261878
H 0.006477 -1.382422 -1.238176
H -0.017169 -2.701928 3.327557
H -0.064552 0.641954 -2.325150
H 0.104714 0.699266 1.978098
H -2.442982 -2.126067 3.548855
H -2.523220 -3.602238 2.554400
H -3.381903 -2.139896 2.056538
H 2.421991 -2.170170 3.555776
H 3.363227 -2.214982 2.065674
H 2.468565 -3.653558 2.569400
H -0.041628 3.119871 -2.369765
H 0.128918 3.175137 1.958007
H -2.967585 -1.095992 -3.449718
H -4.230256 -1.489004 -2.198047
H 4.257540 -1.464515 -2.167977
H 3.003560 -1.057244 -3.423811
H -0.147491 5.208067 0.613163
H -0.219681 5.187630 -1.055949
H -4.405063 0.972194 -3.123043
H -4.206932 0.851518 -1.364893
H -2.819875 1.263939 -2.375293
H 4.403004 1.023881 -3.048098
H 2.818705 1.276939 -2.285529
H 4.214581 0.859145 -1.292884


%chk=000210878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210878

0 1
O -2.284356 -1.051170 -1.672197
O 2.296751 -1.047652 -1.656334
O -3.700892 -1.741676 0.041813
O 3.702502 -1.739214 0.066081
N -0.006945 -2.107701 2.370339
N -0.001796 4.881433 0.000414
C 0.001490 -0.927959 -0.212952
C -1.272830 -1.506391 0.428253
C 1.271650 -1.505934 0.436692
C 0.000867 0.612418 -0.149285
C -1.248112 -1.993969 1.722907
C 1.238449 -1.993813 1.731078
C -2.528892 -1.459492 -0.345787
C 2.532870 -1.457459 -0.328922
C 0.000070 1.387925 -1.334715
C 0.000790 1.304074 1.089423
C -2.412834 -2.481505 2.556214
C 2.397685 -2.481232 2.572050
C -0.000745 2.796026 -1.297068
C -0.000129 2.710772 1.148215
C -0.000916 3.483580 -0.049122
C -3.481488 -0.917569 -2.548658
C 3.499645 -0.910176 -2.524280
C -4.128769 0.460756 -2.376819
C 4.141967 0.469653 -2.346088
H 0.004980 -1.202524 -1.278350
H -0.010034 -2.462796 3.327921
H 0.000056 0.871058 -2.301169
H 0.001557 0.736835 2.028064
H -2.383127 -2.022333 3.564020
H -2.367405 -3.580672 2.685191
H -3.364764 -2.232935 2.069748
H 2.362870 -2.019972 3.578751
H 3.352688 -2.234680 2.090598
H 2.349916 -3.580059 2.703043
H -0.001176 3.371321 -2.231997
H -0.000136 3.220342 2.120489
H -3.076950 -1.060351 -3.564247
H -4.193501 -1.725440 -2.303850
H 4.211952 -1.716528 -2.275369
H 3.102646 -1.052758 -3.542860
H -0.001272 5.370471 0.890207
H -0.002122 5.432211 -0.852521
H -4.950676 0.583274 -3.107314
H -4.547303 0.568124 -1.362418
H -3.389720 1.263735 -2.542168
H 4.968823 0.595298 -3.070432
H 3.401919 1.270800 -2.515750
H 4.552847 0.576860 -1.328536


