%chk=000230987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230987

0 1
O -0.910799 -2.740435 -1.075820
O -0.467235 -2.924201 1.031076
O 3.693609 1.954101 -0.450655
O 4.185626 -0.027931 0.239459
N -0.510138 -2.300925 -0.013573
N 3.383481 0.828889 -0.090144
C -2.415661 0.014052 0.086908
C -3.118627 1.327519 0.521009
C -0.887423 0.190128 0.059080
C -2.592677 2.540291 -0.241374
C -0.309483 1.486238 0.041177
C -1.118215 2.754710 0.098392
C -2.859814 -0.357169 -1.338535
C -2.846083 -1.071766 1.089294
C -0.001376 -0.900947 0.004432
C 1.074131 1.635975 -0.012329
C 1.412457 -0.778331 -0.041297
C 1.937115 0.523888 -0.044307
C 2.243946 -2.005997 -0.105364
H -2.981872 1.481909 1.609897
H -4.210195 1.225325 0.366602
H -3.179316 3.443201 0.015828
H -2.721088 2.398529 -1.333299
H -1.027877 3.186223 1.120509
H -0.686944 3.516280 -0.585756
H -2.399034 -1.289999 -1.695339
H -3.944829 -0.503540 -1.387938
H -2.599948 0.424168 -2.062024
H -2.911805 -2.070450 0.639577
H -2.174831 -1.137217 1.954190
H -3.851086 -0.879477 1.486789
H 1.518954 2.642193 -0.034557
H 2.064726 -2.670239 0.760512
H 2.048452 -2.594707 -1.016844
H 3.334958 -1.816189 -0.094177


%chk=000230987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230987

0 1
O -0.935021 -2.816357 -1.043992
O -0.349329 -2.951096 1.152854
O 3.773390 1.972901 -0.513489
O 4.227796 -0.073532 0.375747
N -0.466506 -2.309165 0.044458
N 3.404423 0.816368 -0.069707
C -2.435435 0.007164 0.053631
C -3.127516 1.330368 0.514321
C -0.890394 0.185209 0.049042
C -2.609146 2.584643 -0.205921
C -0.305931 1.494955 0.041651
C -1.124388 2.779224 0.136602
C -2.909133 -0.330044 -1.398148
C -2.937728 -1.102688 1.029087
C 0.033388 -0.900863 0.011884
C 1.093699 1.637263 -0.016887
C 1.450564 -0.807984 -0.038768
C 1.949247 0.521797 -0.046617
C 2.324337 -2.045324 -0.122584
H -2.983899 1.453870 1.607767
H -4.214526 1.209720 0.346398
H -3.186462 3.474176 0.106637
H -2.743901 2.484668 -1.298986
H -1.043581 3.161051 1.175812
H -0.664556 3.550317 -0.509329
H -2.465898 -1.272053 -1.758959
H -4.009715 -0.438648 -1.402136
H -2.638948 0.466791 -2.113112
H -2.816482 -2.123280 0.634537
H -2.438216 -1.042040 2.012193
H -4.021017 -0.954733 1.191786
H 1.543907 2.634338 -0.034326
H 2.719566 -2.311064 0.873222
H 1.769441 -2.911385 -0.516119
H 3.199072 -1.870468 -0.767152


