%chk=000228386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228386

0 1
O 4.045120 -2.986114 -0.069107
O -4.814400 0.944601 0.076612
O 1.704112 2.073588 3.386690
O 1.333385 -0.020253 2.739657
C -0.153026 -0.342343 0.267009
C 0.190319 1.131592 0.166460
C 0.886072 -1.102482 -0.543542
C -1.589420 -0.669769 -0.091843
C 0.869203 1.820874 1.192792
C -0.157618 1.834381 -1.002702
C 1.964113 -1.682584 0.141632
C -2.599334 0.270995 0.116416
C 0.794026 -1.206707 -1.936360
C -1.922889 -1.957979 -0.554263
C 1.174928 3.189974 1.035679
C 2.934959 -2.365751 -0.596936
C -3.932764 -0.086682 -0.165567
C 0.152747 3.183490 -1.149582
C 1.781467 -1.896616 -2.653771
C -3.249989 -2.287228 -0.824166
C 0.821045 3.868527 -0.124911
C 2.859691 -2.483740 -2.000956
C -4.279182 -1.356965 -0.638814
C 1.291221 1.156156 2.438608
C 4.226422 -2.938643 1.367617
C -6.222837 0.698551 -0.150409
H -0.059358 -0.680345 1.350077
H -0.681568 1.307311 -1.803131
H 2.030774 -1.585639 1.225646
H -2.393432 1.270409 0.494745
H -0.045248 -0.761427 -2.464444
H -1.142075 -2.703177 -0.700713
H 1.696688 3.714937 1.842674
H -0.124426 3.709891 -2.064086
H 1.701519 -1.973298 -3.738456
H -3.494470 -3.287147 -1.184824
H 1.061390 4.924111 -0.239176
H 3.635078 -3.022594 -2.537724
H -5.304876 -1.628367 -0.854785
H 1.989926 1.631842 4.231633
H 3.396231 -3.442569 1.871481
H 4.333576 -1.902828 1.703018
H 5.163222 -3.495299 1.494481
H -6.666714 1.663520 0.127128
H -6.579988 -0.100025 0.506101
H -6.403822 0.472221 -1.204890


%chk=000228386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228386

0 1
O 4.240804 -2.889953 -0.224541
O -4.829612 1.097334 -0.043228
O 1.224009 2.071679 3.671357
O 1.256819 -0.089435 2.868672
C -0.120476 -0.424082 0.239102
C 0.259011 1.069140 0.202758
C 0.888612 -1.212057 -0.624298
C -1.599505 -0.695932 -0.102815
C 0.795246 1.787090 1.320621
C 0.065284 1.786316 -1.006675
C 2.064036 -1.697681 0.004196
C -2.586459 0.305444 0.018856
C 0.709161 -1.411205 -2.014133
C -2.012477 -2.021053 -0.421019
C 1.095664 3.176434 1.199717
C 3.048515 -2.371433 -0.756997
C -3.955664 0.004845 -0.190701
C 0.381810 3.152847 -1.125110
C 1.699955 -2.086800 -2.764890
C -3.374018 -2.313964 -0.623793
C 0.897659 3.858090 -0.012225
C 2.871681 -2.566597 -2.149497
C -4.364857 -1.309395 -0.516232
C 1.094460 1.136874 2.627431
C 4.471036 -2.712860 1.211808
C -6.258906 0.846555 -0.233139
H 0.020247 -0.779269 1.274534
H -0.346891 1.254636 -1.869955
H 2.185704 -1.534169 1.079437
H -2.327134 1.336245 0.278021
H -0.207539 -1.067169 -2.504734
H -1.264623 -2.815489 -0.508442
H 1.491855 3.701618 2.072284
H 0.223230 3.667295 -2.079371
H 1.555872 -2.242835 -3.840013
H -3.676437 -3.338545 -0.868720
H 1.142802 4.922280 -0.091464
H 3.648087 -3.092024 -2.713765
H -5.417202 -1.558877 -0.680415
H 1.447604 1.575345 4.504413
H 3.685671 -3.212851 1.811127
H 4.511774 -1.640528 1.484830
H 5.445528 -3.184620 1.406585
H -6.745843 1.819406 -0.070352
H -6.641107 0.110602 0.501301
H -6.473588 0.489143 -1.259529


