%chk=000297908.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297908

0 1
O -1.715459 -2.260490 1.682049
O -2.394680 -3.141038 -0.415048
O -0.057843 2.858353 -1.054777
O 3.678965 2.664095 -0.418447
O 3.838676 -2.263941 -0.775631
O 2.608377 0.042288 2.465516
N -0.753921 2.284868 1.046744
N 3.236837 -2.024523 1.811235
C 1.905745 0.531620 -0.394168
C 1.582327 1.826892 0.390800
C 3.203079 -0.132390 0.153817
C 0.751432 -0.450923 -0.416101
C 0.192084 2.339350 0.021884
C 2.618971 2.923194 0.108799
C 3.789108 -1.059718 -0.907384
C 0.107616 -0.835669 0.790990
C 2.981882 -0.695802 1.553063
C 0.343731 -0.968230 -1.646577
C -0.927181 -1.730725 0.670407
C -1.337043 -2.259951 -0.592447
C -0.717425 -1.897554 -1.765081
C 2.249173 4.301919 0.545230
C 4.330849 -0.375686 -2.123038
C -2.148981 2.722257 0.787696
C -2.699506 -3.122411 1.019150
C -3.034562 1.574976 0.363522
C -2.906189 1.043738 -0.928535
C -3.991635 1.052003 1.242899
C -3.739893 0.001379 -1.338992
C -4.825613 0.009578 0.825867
C -4.702713 -0.514829 -0.464195
H 2.117764 0.859135 -1.452319
H 1.663594 1.596268 1.499730
H 3.968431 0.700296 0.295271
H 0.426191 -0.454108 1.760981
H 0.843953 -0.653736 -2.563469
H -1.017857 -2.295595 -2.729805
H -0.632451 1.647029 1.831863
H 3.123099 4.971484 0.548712
H 1.514635 4.744007 -0.153608
H 1.798470 4.334124 1.545536
H 5.341870 -0.744558 -2.360440
H 3.717380 -0.596833 -3.009656
H 4.397314 0.721259 -2.029449
H -2.529372 3.213652 1.712045
H -2.141348 3.509172 -0.010303
H 3.068064 -2.390902 2.737274
H 3.452363 -2.700185 1.078004
H -3.689421 -2.661585 1.146990
H -2.564963 -4.141290 1.403359
H -2.150808 1.449231 -1.607170
H -4.092504 1.454214 2.248868
H -3.639277 -0.411627 -2.341784
H -5.575562 -0.387714 1.507102
H -5.355374 -1.321765 -0.791677


%chk=000297908-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297908

0 1
O -1.181685 -2.974205 1.480192
O -2.064087 -3.546458 -0.676929
O 0.176615 2.569447 -1.544668
O 3.400976 3.020522 -0.320775
O 4.230716 -2.194502 -0.699266
O 3.087395 0.467289 2.451247
N -0.918760 2.432382 0.509455
N 3.682233 -1.704456 1.877702
C 1.984876 0.515669 -0.438835
C 1.448974 1.720432 0.394031
C 3.395500 0.001998 0.077209
C 0.933578 -0.591394 -0.538094
C 0.184084 2.276375 -0.311572
C 2.471111 2.875528 0.516355
C 3.977919 -0.978995 -0.951432
C 0.436182 -1.235748 0.637580
C 3.376877 -0.408406 1.565424
C 0.416014 -0.951028 -1.807843
C -0.555725 -2.199662 0.470240
C -1.067491 -2.544346 -0.799035
C -0.594010 -1.941348 -1.964561
C 2.291127 3.799569 1.703207
C 4.257534 -0.416769 -2.336956
C -2.217576 2.921854 0.007245
C -2.281648 -3.696038 0.789038
C -3.320291 1.869017 0.079310
C -3.141814 0.603199 -0.536109
C -4.542036 2.146052 0.739882
C -4.168467 -0.364833 -0.494004
C -5.573340 1.178673 0.781863
C -5.389269 -0.079139 0.163954
H 2.157454 0.926605 -1.450068
H 1.198029 1.403978 1.420768
H 4.041208 0.902174 0.029350
H 0.807326 -0.986363 1.635061
H 0.777542 -0.422865 -2.696657
H -0.988889 -2.207297 -2.948139
H -0.875043 2.075491 1.466035
H 2.935538 4.686403 1.604783
H 1.235712 4.109345 1.815089
H 2.573869 3.237309 2.614441
H 5.140424 -0.919411 -2.764534
H 3.399465 -0.642619 -2.999496
H 4.401668 0.676238 -2.326468
H -2.516687 3.824119 0.573869
H -2.031043 3.225508 -1.039648
H 3.697886 -1.979814 2.859881
H 3.913988 -2.355816 1.111725
H -3.245691 -3.224800 1.058089
H -2.230678 -4.763824 1.051099
H -2.201286 0.380844 -1.053046
H -4.690758 3.121864 1.219797
H -4.020403 -1.333995 -0.985210
H -6.515146 1.406190 1.293777
H -6.189595 -0.827341 0.190947


