%chk=000186557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186557

0 1
O 3.729189 1.890637 -0.604411
O 4.138597 -0.493499 -1.691378
C 3.398728 0.768869 0.233230
C 4.234616 -0.448741 -0.260479
C 1.903093 0.500771 0.137286
C 1.378546 -0.800007 0.166600
C 3.764014 -1.742247 0.399375
C 2.270805 -2.013588 0.190459
C -0.026508 -0.983276 0.128206
C -0.881610 0.149225 0.040336
C 1.059410 1.614540 0.042322
C 3.794265 1.208573 1.639886
C -0.329277 1.460109 -0.009373
C -2.317546 -0.017214 -0.005788
C -0.646714 -2.297674 0.174955
C -2.885463 -1.319046 0.041245
C -3.168362 1.120501 -0.100066
C -1.222617 2.602187 -0.109222
C -1.991735 -2.458386 0.135134
C -2.566352 2.442763 -0.151127
C -4.281919 -1.468801 -0.003574
C -4.559221 0.939454 -0.142942
C -5.105548 -0.346063 -0.094427
H 5.324979 -0.271520 -0.110849
H 3.992091 -1.696613 1.483924
H 4.353271 -2.594335 0.003399
H 1.926656 -2.709845 0.987291
H 2.130491 -2.566765 -0.765571
H 1.509203 2.611557 -0.002313
H 4.876572 1.362428 1.723336
H 3.326718 2.175080 1.880125
H 3.476342 0.487044 2.398817
H 0.004567 -3.168591 0.249172
H 3.850642 1.592529 -1.542541
H 3.245336 -0.793626 -1.971413
H -0.766923 3.592070 -0.148918
H -2.442994 -3.449683 0.173117
H -3.237131 3.298191 -0.225013
H -4.721592 -2.463745 0.032590
H -5.216631 1.804205 -0.214693
H -6.187587 -0.472067 -0.128405


%chk=000186557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186557

0 1
O 3.807778 1.939809 -0.621949
O 4.046576 -0.546342 -1.760551
C 3.443833 0.786071 0.227158
C 4.232482 -0.446842 -0.288101
C 1.928068 0.510634 0.141346
C 1.393682 -0.809446 0.180344
C 3.807190 -1.728102 0.439589
C 2.301854 -2.039412 0.243601
C -0.029445 -0.991496 0.123065
C -0.903450 0.153229 0.039382
C 1.065812 1.626826 0.045518
C 3.856774 1.202207 1.651832
C -0.339449 1.480344 0.000384
C -2.330788 -0.015048 -0.011814
C -0.641428 -2.306319 0.142863
C -2.906745 -1.336560 0.018109
C -3.195678 1.138069 -0.097041
C -1.227485 2.620820 -0.089240
C -2.015084 -2.470680 0.095114
C -2.599117 2.457510 -0.133877
C -4.320059 -1.484609 -0.031540
C -4.602550 0.946329 -0.144787
C -5.156769 -0.352193 -0.111321
H 5.313459 -0.256696 -0.181455
H 4.029879 -1.602361 1.515549
H 4.415088 -2.578452 0.081666
H 1.973543 -2.708378 1.061946
H 2.164725 -2.633612 -0.684374
H 1.515261 2.623974 -0.013352
H 4.952889 1.324746 1.709829
H 3.391149 2.174185 1.888217
H 3.526935 0.471379 2.409298
H -0.003210 -3.193245 0.197075
H 3.883226 1.578930 -1.548818
H 3.107776 -0.814757 -1.943433
H -0.784019 3.622764 -0.120676
H -2.450786 -3.476842 0.114686
H -3.262193 3.328013 -0.200286
H -4.754156 -2.490931 -0.007786
H -5.259136 1.821947 -0.209032
H -6.244031 -0.480061 -0.148835


