%chk=000299271.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299271

0 1
O -3.367588 1.300316 0.309352
O 4.760533 2.895315 0.354310
O 2.610227 2.759618 0.467665
O 6.659844 -2.860155 -0.724787
O 7.536801 -0.899717 -0.456008
N 1.385317 0.500009 0.185467
N 0.294924 -0.350888 0.114064
N 3.727231 2.255504 0.315318
N 6.584211 -1.659261 -0.519832
C -3.357177 -0.087590 0.187277
C -4.539565 -0.850568 0.158112
C -2.081569 -0.698746 0.205236
C -3.169545 -2.873907 0.130447
C -4.423854 -2.247597 0.122289
C -2.002166 -2.096409 0.181325
C -5.880756 -0.203321 0.179860
C -3.063060 -4.363224 0.098355
C -0.893462 0.168058 0.273076
C -3.835019 2.031073 -0.868334
C 2.648025 -0.028993 0.011670
C 3.802145 0.823031 0.075805
C -5.039031 2.857777 -0.480690
C 2.850672 -1.428547 -0.236701
C 5.090797 0.270858 -0.100323
C 5.244866 -1.086732 -0.336687
C 4.107064 -1.944701 -0.405627
C -4.991514 3.465280 0.881236
C -6.041764 3.049672 -1.340457
H -5.328786 -2.854900 0.095273
H -1.024073 -2.580512 0.202109
H -5.874732 0.715558 0.790159
H -6.657461 -0.859359 0.594033
H -6.203961 0.088921 -0.830397
H -2.654798 -4.751220 1.043909
H -2.395682 -4.704013 -0.706569
H -4.030923 -4.857282 -0.058882
H -1.122345 1.237044 0.462232
H -4.030482 1.341505 -1.705143
H -2.973144 2.682079 -1.116210
H 1.271539 1.528756 0.371239
H 1.970145 -2.079504 -0.288429
H 5.974845 0.933443 -0.048002
H 4.267843 -3.014800 -0.595353
H -4.385482 4.382830 0.881762
H -4.528255 2.777433 1.609824
H -5.985550 3.730207 1.261860
H -6.084998 2.621115 -2.328923
H -6.901789 3.664043 -1.118009


%chk=000299271-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299271

0 1
O -3.821128 0.922135 0.421005
O 4.087527 3.333377 0.437289
O 1.855500 2.877278 0.466196
O 6.767540 -2.276225 -0.430117
O 7.395961 -0.096135 -0.148773
N 1.016207 0.427765 0.170394
N 0.030903 -0.544394 0.068980
N 3.112528 2.496302 0.364548
N 6.499644 -1.022817 -0.244845
C -3.672665 -0.473729 0.214289
C -4.813321 -1.316535 0.184503
C -2.352298 -1.014666 0.118321
C -3.307449 -3.280039 -0.080746
C -4.603078 -2.709858 0.036000
C -2.191697 -2.419235 -0.032420
C -6.212332 -0.748635 0.330938
C -3.126497 -4.781243 -0.227029
C -1.211339 -0.105393 0.193705
C -4.175841 1.706228 -0.807022
C 2.344813 0.086742 0.067526
C 3.395105 1.077064 0.161917
C -4.289206 3.164477 -0.419323
C 2.735366 -1.278788 -0.137344
C 4.754434 0.708555 0.059589
C 5.082337 -0.637013 -0.137882
C 4.074864 -1.639484 -0.238502
C -3.088807 3.770352 0.278827
C -5.410851 3.867686 -0.725117
H -5.478474 -3.371667 0.021397
H -1.174650 -2.820054 -0.101872
H -6.195741 0.195564 0.900791
H -6.873035 -1.463184 0.851291
H -6.672129 -0.538906 -0.654717
H -2.647761 -5.215686 0.670843
H -2.480633 -5.026486 -1.089859
H -4.092412 -5.294418 -0.371286
H -1.446624 0.957783 0.377490
H -5.123540 1.325446 -1.232023
H -3.363749 1.550591 -1.550431
H 0.822478 1.441037 0.324505
H 1.938723 -2.021151 -0.208942
H 5.533627 1.471284 0.134508
H 4.376530 -2.678512 -0.393823
H -2.174731 3.675778 -0.341054
H -2.893042 3.241743 1.229859
H -3.243845 4.839520 0.498746
H -6.272963 3.398819 -1.214642
H -5.495751 4.936223 -0.497787


