%chk=000299975.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299975

0 1
O 2.648323 0.035167 0.441741
O -2.869098 -0.167826 0.099564
O 3.029357 -0.779232 -1.650905
O -3.462702 2.015147 0.413826
C 1.250903 -0.008766 0.267795
C 0.585447 1.225610 0.164676
C 0.578461 -1.249419 0.307285
C -1.482814 -0.003142 0.171727
C -0.818100 1.220065 0.123001
C -0.818286 -1.237361 0.263959
C 1.338029 2.508995 0.100098
C 1.339778 -2.526273 0.379688
C 3.470863 -0.355981 -0.611407
C 4.888544 -0.171776 -0.216720
C -3.790904 0.873613 0.215632
C -5.155116 0.315408 0.064789
C 5.878547 -0.438258 -1.177111
C 5.247020 0.253723 1.070986
C -6.242186 1.184259 0.262569
C -5.374175 -1.029707 -0.268208
C 7.224984 -0.277260 -0.844834
C 6.596422 0.411683 1.396015
C 7.583151 0.147001 0.439971
C -7.544942 0.701997 0.127497
C -6.681436 -1.503943 -0.402096
C -7.764074 -0.640263 -0.204392
H -1.369645 2.161050 0.056436
H -1.393488 -2.159368 0.293270
H 2.396875 2.383047 0.373357
H 1.309596 2.928231 -0.917623
H 0.912873 3.265617 0.775146
H 1.817609 -2.738312 -0.594458
H 2.144107 -2.475939 1.128804
H 0.708721 -3.388040 0.629377
H 5.585794 -0.769842 -2.177205
H 4.467677 0.458242 1.810532
H -6.058365 2.231147 0.519593
H -4.520809 -1.696421 -0.420668
H 7.995855 -0.482304 -1.586597
H 6.879132 0.741364 2.394878
H -8.390688 1.371484 0.280015
H -6.856076 -2.547513 -0.661127
H 8.635463 0.271650 0.696621
H -8.783229 -1.013654 -0.309596


%chk=000299975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299975

0 1
O 2.693498 0.063777 0.478552
O -2.920189 -0.194816 0.097880
O 3.106030 -0.552357 -1.745641
O -3.598655 2.060693 0.160907
C 1.267636 0.013450 0.303710
C 0.579777 1.248273 0.273714
C 0.612927 -1.242321 0.268789
C -1.505595 -0.012622 0.169949
C -0.834932 1.230828 0.207547
C -0.796829 -1.232771 0.200693
C 1.339280 2.559787 0.299376
C 1.391839 -2.540602 0.298703
C 3.540327 -0.236153 -0.616309
C 4.976245 -0.123243 -0.232018
C -3.876190 0.839946 0.097170
C -5.256598 0.281938 0.012317
C 5.951324 -0.379449 -1.231716
C 5.383201 0.227240 1.082151
C -6.336929 1.203815 0.011222
C -5.516862 -1.111608 -0.065512
C 7.322436 -0.284721 -0.919915
C 6.757059 0.320346 1.388721
C 7.727759 0.065351 0.390669
C -7.664091 0.736570 -0.066039
C -6.847332 -1.573920 -0.142969
C -7.922275 -0.653242 -0.143109
H -1.395851 2.165147 0.186297
H -1.357326 -2.171998 0.171643
H 2.037914 2.602799 1.154024
H 1.946663 2.684685 -0.616847
H 0.646159 3.414046 0.367870
H 1.915594 -2.700384 -0.662037
H 2.160259 -2.530462 1.092895
H 0.723432 -3.399999 0.472248
H 5.613084 -0.647830 -2.238085
H 4.623066 0.420778 1.843648
H -6.112522 2.273835 0.071332
H -4.678686 -1.813088 -0.065366
H 8.073594 -0.481879 -1.692163
H 7.072389 0.590648 2.402225
H -8.495101 1.449963 -0.066528
H -7.047670 -2.649070 -0.203471
H 8.793977 0.138787 0.632611
H -8.954434 -1.016268 -0.203234


