%chk=000206363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206363

0 1
I -2.090322 -2.138890 1.031802
I 0.129923 3.477560 1.207163
I 3.777710 -1.276717 -0.105499
O -2.266716 1.142278 2.665890
O 1.217099 -3.596936 1.052041
O -2.305725 -0.685933 -2.182426
O 3.037823 1.461805 -1.961097
O -4.381744 -0.438462 -1.366629
N -2.903428 1.454334 0.497657
N 2.778532 1.853538 0.286340
N 0.803303 -3.181326 -1.168816
C -0.647451 0.541378 1.008905
C 0.788800 -1.319396 0.394358
C 1.695212 0.939992 0.461079
C -0.461740 -0.824976 0.774016
C 0.425134 1.418301 0.849194
C -1.995638 1.046825 1.486500
C 1.871120 -0.446097 0.267874
C -2.656478 1.288171 -0.938686
C -4.295944 1.781889 0.890412
C 0.975274 -2.811199 0.158713
C 3.436904 2.023004 -0.965777
C -3.260893 -0.007775 -1.462569
C 0.998874 -4.585434 -1.582195
C 4.611238 2.950600 -0.899111
H -1.562195 1.329132 -1.172397
H -3.116816 2.139506 -1.502842
H -4.554044 2.799351 0.556805
H -4.398001 1.746261 1.993935
H -5.012640 1.058734 0.457174
H 2.955516 2.498605 1.063253
H 0.682908 -2.496490 -1.907092
H 0.117214 -4.945102 -2.137574
H 1.131060 -5.237363 -0.694097
H 1.896265 -4.692115 -2.214314
H 4.327767 3.975956 -0.625306
H 5.101788 3.006091 -1.886484
H 5.373435 2.607302 -0.183702
H -2.630024 -1.562599 -2.527095


%chk=000206363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206363

0 1
I -2.070620 -2.387727 0.909120
I 0.080434 3.386029 1.019842
I 3.943000 -1.300073 0.085659
O -2.247183 0.915451 2.693695
O 1.292323 -3.737290 1.357620
O -3.272318 0.378779 -3.066518
O 2.926807 1.449903 -2.020628
O -4.636828 -0.241336 -1.287619
N -2.936771 1.318825 0.497932
N 2.780423 1.756995 0.288345
N 1.163964 -3.458907 -0.960537
C -0.674593 0.369686 0.950700
C 0.871034 -1.504051 0.460558
C 1.722201 0.821879 0.479260
C -0.425074 -1.012962 0.757719
C 0.410160 1.266595 0.794893
C -2.024207 0.875358 1.447679
C 1.938259 -0.578149 0.353794
C -2.684597 1.285611 -0.939378
C -4.205187 1.920719 0.955945
C 1.129364 -3.002381 0.340745
C 3.322906 2.037810 -0.977962
C -3.651282 0.386788 -1.718132
C 1.438062 -4.861799 -1.292750
C 4.438471 3.074846 -0.968011
H -1.658502 0.940591 -1.148382
H -2.761766 2.303638 -1.373445
H -4.289364 2.955876 0.572715
H -4.195240 1.938092 2.055938
H -5.062098 1.322480 0.604339
H 3.060515 2.338747 1.081536
H 1.052938 -2.780544 -1.716911
H 0.632177 -5.282527 -1.920291
H 1.490964 -5.425384 -0.347959
H 2.403049 -4.963392 -1.823322
H 4.330879 3.816714 -0.156835
H 4.449369 3.594735 -1.937947
H 5.411906 2.565000 -0.844028
H -3.900474 -0.190823 -3.587976


