%chk=000281827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281827

0 1
O 4.053063 -1.179953 -1.626571
O 1.141515 -3.768035 0.046473
O -0.128305 3.014904 -0.040565
O -2.204513 -1.847429 -1.213686
O 6.428117 1.766445 0.503603
O 3.291194 -3.814094 -0.769358
N 1.587591 0.596039 -0.283546
N 4.620286 0.613833 1.281615
N -3.938904 0.081183 -0.665217
N 2.734132 -4.812013 1.254864
C 3.962696 0.578753 -0.031720
C 3.459540 -0.878007 -0.368450
C 1.969476 -0.742475 -0.481390
C 2.712287 1.520613 -0.052953
C 0.818629 -1.494372 -0.735801
C 0.227661 0.714962 -0.384697
C -0.277631 -0.580395 -0.666692
C -0.623648 1.925724 -0.252557
C 0.700726 -2.933032 -1.073365
C -1.697240 -0.799411 -0.860111
C -2.078929 1.676163 -0.395063
C -2.590306 0.425211 -0.590231
C 5.880376 1.224828 1.443124
C -2.907644 2.914359 -0.335524
C 6.439542 1.145638 2.833607
C -5.017382 0.730093 0.013395
C 2.472965 -4.116358 0.081042
C -6.269844 0.767882 -0.632684
C -4.865180 1.254231 1.309687
C -7.356396 1.346072 0.023103
C -5.965875 1.833427 1.944513
C -7.209362 1.882609 1.307635
H 4.697814 0.893333 -0.831276
H 3.766630 -1.639408 0.380494
H 2.777974 2.271065 -0.874152
H 2.576318 2.099006 0.886674
H 4.131100 0.186866 2.060168
H -0.363435 -3.258655 -1.168879
H 1.275209 -3.200922 -1.982557
H 3.961733 -2.157755 -1.809250
H -2.326896 3.797077 -0.654419
H -3.791812 2.856096 -0.985347
H -3.255717 3.128451 0.686141
H -4.158317 -0.821144 -1.112085
H 7.420700 1.650732 2.869263
H 5.799950 1.640502 3.575837
H 6.603989 0.110374 3.160968
H -6.387812 0.360272 -1.634493
H -3.901984 1.200946 1.814669
H 3.590207 -5.348091 1.312465
H 1.965995 -5.132725 1.828972
H -8.326979 1.382160 -0.472071
H -5.852452 2.244140 2.947952
H -8.062048 2.334584 1.809549


%chk=000281827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281827

0 1
O 4.217110 -1.757371 -0.876116
O 0.771289 -3.958411 -0.080582
O 0.021572 2.959526 0.633921
O -2.212619 -1.681862 -1.359620
O 5.150511 2.923500 0.973197
O 3.123897 -4.136782 -0.199595
N 1.612277 0.472708 0.214294
N 5.206263 0.605130 0.856313
N -3.851103 0.290275 -0.788550
N 1.844365 -5.468970 1.224420
C 3.954618 0.482114 0.101611
C 3.464155 -0.996452 0.097504
C 1.981892 -0.820379 -0.158870
C 2.754420 1.313047 0.661450
C 0.845037 -1.510748 -0.612917
C 0.257617 0.649498 0.027740
C -0.248194 -0.568538 -0.487701
C -0.533314 1.873088 0.233054
C 0.770197 -2.902665 -1.163789
C -1.657977 -0.661461 -0.818628
C -1.979498 1.781574 -0.075974
C -2.519990 0.562096 -0.497769
C 5.762735 1.831814 1.186342
C -2.758166 3.074961 -0.009910
C 7.141691 1.780518 1.837902
C -5.042723 0.822876 -0.225748
C 2.003386 -4.488909 0.276905
C -6.234054 0.775893 -1.000045
C -5.095935 1.306079 1.109793
C -7.453142 1.224469 -0.452683
C -6.320002 1.761196 1.643571
C -7.502919 1.728834 0.868798
H 4.112736 0.770155 -0.957695
H 3.607784 -1.427685 1.116958
H 2.688117 2.330026 0.256485
H 2.777673 1.381177 1.763519
H 5.787459 -0.235734 0.895896
H -0.194741 -3.067387 -1.662629
H 1.613591 -3.122264 -1.840369
H 3.950188 -2.722186 -0.766041
H -2.051603 3.917480 -0.088549
H -3.504075 3.136809 -0.821135
H -3.308813 3.205140 0.941574
H -3.947300 -0.587498 -1.326091
H 7.094178 2.282516 2.819408
H 7.527570 0.756190 1.978735
H 7.853942 2.349466 1.215674
H -6.192476 0.402549 -2.029876
H -4.195375 1.283909 1.730732
H 2.667136 -5.954465 1.571071
H 0.913648 -5.719619 1.550549
H -8.363607 1.188008 -1.061016
H -6.350979 2.128346 2.675473
H -8.449646 2.082719 1.290113


