%chk=000245534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245534

0 1
O 5.589705 -1.568534 1.148244
O -5.526889 -1.595995 -1.196397
O 2.513824 -0.130698 -2.538917
O -2.566903 0.056533 2.505576
O -2.058492 2.332651 1.158570
O 2.069354 2.241901 -1.307170
O 0.034960 3.703259 -0.082792
N 3.432054 -0.588712 -0.437668
N -3.429335 -0.541802 0.421505
C 2.173018 -0.639275 -1.253911
C -2.191671 -0.541690 1.268476
C 4.477784 -1.488247 -1.028182
C 3.230030 -0.909026 1.009806
C -4.460939 -1.464869 0.999971
C -3.191595 -0.861479 -1.020138
C 1.071055 0.181034 -0.612426
C -1.062891 0.228142 0.611436
C 0.002787 -0.464025 0.023251
C 5.787200 -1.285091 -0.253273
C 4.574152 -0.732452 1.737497
C -5.760462 -1.306625 0.197936
C -4.526907 -0.732599 -1.773415
C -1.040275 1.636671 0.582261
C 1.069074 1.589316 -0.652920
C 0.039111 2.313070 -0.019566
H 1.819693 -1.673647 -1.500552
H -1.850685 -1.557417 1.596631
H 4.611248 -1.208559 -2.097901
H 4.185363 -2.560039 -1.001699
H 2.846938 -1.939305 1.171804
H 2.483780 -0.203462 1.434791
H -4.623954 -1.177741 2.063558
H -4.138324 -2.528200 0.989231
H -2.770708 -1.878569 -1.170105
H -2.462435 -0.132074 -1.435842
H -0.004393 -1.558339 0.052949
H 6.560458 -2.019775 -0.537432
H 6.173830 -0.256493 -0.361059
H 4.915107 0.317676 1.712525
H 4.535869 -1.101635 2.777159
H -6.517458 -2.061008 0.474049
H -6.178750 -0.288816 0.289189
H -4.900851 0.306572 -1.763354
H -4.457663 -1.107811 -2.809347
H 2.916339 0.775131 -2.467552
H -3.001875 0.937192 2.355616
H -1.989476 3.311805 0.942943
H 1.874804 3.227174 -1.362853
H 0.513795 4.057982 0.715298


%chk=000245534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245534

0 1
O 5.714319 -1.562751 1.162284
O -5.613288 -1.594846 -1.270429
O 2.503933 -0.148614 -2.566529
O -2.620090 0.015281 2.562055
O -2.123631 2.363994 1.137758
O 2.120474 2.285268 -1.229741
O 0.030367 3.724826 -0.033527
N 3.471584 -0.630326 -0.422933
N -3.465819 -0.583640 0.396595
C 2.216388 -0.639260 -1.217040
C -2.258529 -0.551471 1.260560
C 4.484438 -1.561435 -0.994341
C 3.328855 -0.856576 1.038088
C -4.505861 -1.495950 0.948954
C -3.242816 -0.863175 -1.045263
C 1.100982 0.161921 -0.554624
C -1.099381 0.203859 0.619223
C 0.001974 -0.482891 0.058759
C 5.832102 -1.348671 -0.291915
C 4.696270 -0.654884 1.714817
C -5.813461 -1.322369 0.164376
C -4.572478 -0.700111 -1.802285
C -1.070133 1.619259 0.586636
C 1.088433 1.577446 -0.590900
C 0.038704 2.289513 0.027707
H 1.849405 -1.676696 -1.400526
H -1.910270 -1.578317 1.523560
H 4.574918 -1.357035 -2.074864
H 4.166515 -2.626269 -0.864795
H 2.959853 -1.887935 1.265469
H 2.605352 -0.136179 1.457738
H -4.657787 -1.246618 2.013161
H -4.177117 -2.563385 0.883062
H -2.854677 -1.898754 -1.214178
H -2.504019 -0.152089 -1.453348
H -0.005764 -1.579804 0.083831
H 6.581734 -2.079953 -0.636677
H 6.195872 -0.317400 -0.489988
H 5.020064 0.399697 1.576527
H 4.644171 -0.892101 2.790480
H -6.576905 -2.044786 0.497419
H -6.193828 -0.286804 0.299155
H -4.910866 0.356009 -1.724539
H -4.459757 -0.978718 -2.863180
H 2.784831 0.802264 -2.462385
H -2.908399 0.953086 2.387620
H -2.024309 3.316536 0.871912
H 1.846192 3.236822 -1.322164
H 0.499857 4.106131 0.754224


