%chk=000240177.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240177

0 1
O -1.973935 1.567185 -4.178459
O -0.891836 0.809578 2.607816
O -0.088557 0.861663 -3.402254
O 0.070843 2.639560 1.969015
O -5.628226 2.757583 -1.408022
O -5.392488 2.877853 0.742680
N 1.141665 0.427545 0.257663
N 0.340495 0.742643 -0.877096
N -1.228456 1.309739 -3.254535
N -0.679475 1.696739 1.810114
N -4.979592 2.655456 -0.382037
C 1.087284 -1.005682 0.594519
C 0.821345 -3.372759 0.142121
C -0.883703 1.316075 -0.723273
C 0.892056 -2.019387 -0.315402
C 0.964794 -3.649889 1.526985
C 2.511426 0.932391 0.059264
C 1.225023 -1.271254 1.994010
C 1.166186 -2.565566 2.440300
C -1.706272 1.538400 -1.895447
C -1.468783 1.684445 0.544513
C 0.613187 -4.456617 -0.769803
C 0.898919 -5.006385 1.977667
C -3.034297 1.977405 -1.768052
C -2.783767 2.091790 0.651542
C 3.507039 0.178847 -0.582561
C 2.786386 2.206584 0.576370
C -3.578672 2.227314 -0.510739
C 0.554496 -5.747913 -0.308987
C 0.699309 -6.026875 1.082005
C 4.793068 0.710467 -0.696061
C 4.079492 2.722763 0.454588
C 5.079750 1.979976 -0.180271
H 0.745364 0.590297 -1.839875
H 0.780535 -1.831897 -1.381491
H 1.352286 -0.433735 2.685221
H 1.263718 -2.788107 3.504174
H 0.501586 -4.235831 -1.830449
H 1.008657 -5.209451 3.042586
H -3.652915 2.122242 -2.676340
H -3.234107 2.330609 1.630694
H 3.290700 -0.814287 -0.976305
H 2.001841 2.782566 1.079946
H 0.395667 -6.579425 -0.995219
H 0.647018 -7.062442 1.416264
H 5.575872 0.133074 -1.188271
H 4.305340 3.709972 0.859447
H 6.085732 2.389341 -0.272956


%chk=000240177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240177

0 1
O -2.152539 0.998919 -4.162013
O -0.394677 0.976132 2.719805
O 0.039783 1.147915 -3.545600
O 0.488820 2.753744 1.581989
O -5.725404 1.588809 -1.014860
O -5.283772 1.688787 1.227902
N 1.511067 0.486781 -0.042223
N 0.662869 1.015289 -1.031304
N -1.245140 1.141384 -3.259957
N -0.280585 1.722231 1.677983
N -4.915986 1.601473 -0.008737
C 1.253461 -0.874354 0.380383
C 0.390221 -3.137193 -0.039161
C -0.664971 1.277684 -0.791666
C 0.679406 -1.808668 -0.488261
C 0.716623 -3.510888 1.322778
C 2.805231 1.106531 0.050649
C 1.563079 -1.233358 1.735901
C 1.306710 -2.525692 2.183513
C -1.642623 1.292117 -1.860651
C -1.195645 1.468432 0.531292
C -0.201214 -4.116150 -0.904917
C 0.434206 -4.842800 1.767674
C -3.024119 1.405920 -1.604971
C -2.557650 1.552171 0.800416
C 3.960711 0.332981 0.340346
C 2.925593 2.503912 -0.174630
C -3.470140 1.508559 -0.283126
C -0.462230 -5.408560 -0.444022
C -0.144303 -5.775528 0.902818
C 5.219603 0.962805 0.416477
C 4.193863 3.114827 -0.109437
C 5.346855 2.353602 0.191335
H 0.956382 1.022208 -2.028714
H 0.449428 -1.538796 -1.525555
H 1.978110 -0.479507 2.410939
H 1.536421 -2.795060 3.220605
H -0.446672 -3.837263 -1.936533
H 0.678151 -5.120671 2.799802
H -3.733265 1.392787 -2.437013
H -2.927247 1.681500 1.821502
H 3.879347 -0.747720 0.486689
H 2.033984 3.100967 -0.381313
H -0.914529 -6.149022 -1.112383
H -0.358216 -6.791610 1.251106
H 6.106643 0.359319 0.637410
H 4.277566 4.193000 -0.282338
H 6.328791 2.834658 0.245673


