%chk=000254344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254344

0 1
O -0.345108 -0.084013 1.181271
O 2.097249 2.450968 0.519048
O 2.085456 -2.511256 0.167643
O 0.440176 0.170031 -2.415375
O -2.266421 0.179588 -2.476323
C 1.811542 -0.023300 0.256089
C 0.385076 -0.000506 -0.017394
C -2.424044 0.012762 -0.109755
C -1.725577 -0.074875 1.102501
C -0.228387 0.086707 -1.225919
C 2.552261 1.166247 0.485680
C 2.546537 -1.236806 0.315504
C -1.716033 0.102651 -1.404556
C -3.835486 0.012923 -0.061630
C -2.377773 -0.161498 2.348727
C 3.948616 1.153046 0.681393
C 3.942884 -1.257949 0.510649
C 4.629423 -0.060572 0.687642
C -4.496544 -0.071649 1.156037
C -3.765898 -0.158697 2.358805
C 0.686303 2.769918 0.479595
C 0.673036 -2.814784 0.084058
H -4.388326 0.081107 -1.004676
H -1.791136 -0.227733 3.262994
H 4.467885 2.096923 0.834259
H 4.457600 -2.216413 0.528745
H 5.711189 -0.073929 0.840106
H -5.585050 -0.071264 1.189543
H -4.301742 -0.224571 3.308036
H 1.429858 0.156539 -2.270054
H 0.296513 2.600618 -0.528608
H 0.701936 3.843341 0.715924
H 0.137478 2.210491 1.244567
H 0.683527 -3.910873 0.166545
H 0.284341 -2.503055 -0.890006
H 0.126638 -2.366318 0.920535


%chk=000254344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254344

0 1
O -0.421965 -0.087664 1.179510
O 2.057298 2.488779 0.421580
O 2.051695 -2.535414 0.044602
O 0.614743 0.183396 -2.390330
O -2.157829 0.216525 -2.633042
C 1.847683 -0.023633 0.247212
C 0.379369 -0.001649 0.019673
C -2.439947 0.028302 -0.231594
C -1.819765 -0.072982 1.042096
C -0.171587 0.099267 -1.246891
C 2.598484 1.198456 0.373824
C 2.593858 -1.253206 0.189094
C -1.636415 0.124004 -1.478862
C -3.861480 0.036837 -0.286381
C -2.571204 -0.164175 2.236025
C 4.013859 1.189574 0.379465
C 4.009710 -1.249437 0.196399
C 4.708300 -0.030516 0.277664
C -4.623008 -0.053166 0.888549
C -3.974481 -0.153868 2.152466
C 0.730237 2.765765 1.000363
C 0.713381 -2.891792 0.548665
H -4.326197 0.116271 -1.274743
H -2.049510 -0.240465 3.194638
H 4.532937 2.147340 0.468016
H 4.525559 -2.211389 0.140070
H 5.803323 -0.032862 0.282459
H -5.716434 -0.046091 0.837404
H -4.570302 -0.223992 3.068712
H 1.578293 0.160327 -2.141833
H -0.069206 2.610681 0.255798
H 0.769327 3.829483 1.281334
H 0.544114 2.142050 1.891815
H 0.747812 -3.985718 0.667573
H -0.071504 -2.625868 -0.179935
H 0.508854 -2.409371 1.520205


