%chk=000239665.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239665

0 1
O 4.520296 1.654595 -0.000654
O -4.520294 -1.654569 -0.000676
C 4.277005 -1.217852 0.001291
C -4.277002 1.217880 0.001275
C 3.081379 -0.259553 0.000978
C -3.081374 0.259580 0.000960
C 0.643070 0.234913 0.000916
C -0.643066 -0.234887 0.000908
C 1.800208 -0.670934 0.001022
C -1.800203 0.670960 0.001001
C 5.115075 -0.954189 1.266148
C 5.114541 -0.955750 -1.264257
C 3.836613 -2.695804 0.002322
C -5.115087 0.954193 1.266118
C -5.114522 0.955802 -1.264289
C -3.836609 2.695831 0.002339
C 3.390030 1.208579 0.000350
C -3.390028 -1.208554 0.000323
C 2.207311 2.140132 0.000797
C -2.207308 -2.140105 0.000787
C 0.947988 1.668424 0.000954
C -0.947985 -1.668397 0.000948
C 2.537681 3.590799 0.000878
C -2.537677 -3.590773 0.000873
H 1.554226 -1.740681 0.001132
H -1.554222 1.740708 0.001104
H 4.520834 -1.064454 2.177459
H 5.961436 -1.644279 1.333346
H 5.531997 0.064198 1.260919
H 5.530317 0.063093 -1.261146
H 4.520257 -1.068628 -2.175199
H 5.961773 -1.644935 -1.330125
H 3.249615 -2.947924 -0.886179
H 3.250336 -2.946833 0.891613
H 4.711299 -3.357171 0.002339
H -4.520824 1.064318 2.177432
H -5.961376 1.644362 1.333388
H -5.532104 -0.064155 1.260807
H -5.530266 -0.063054 -1.261225
H -4.520237 1.068741 -2.175223
H -5.961777 1.644961 -1.330129
H -3.249584 2.947964 -0.886140
H -3.250361 2.946846 0.891652
H -4.711295 3.357199 0.002337
H 0.093980 2.354391 0.001097
H -0.093978 -2.354365 0.001096
H 3.150092 3.853161 0.879813
H 1.654612 4.239358 0.001147
H 3.149696 3.853336 -0.878288
H -3.149669 -3.853318 -0.878306
H -3.150110 -3.853128 0.879794
H -1.654608 -4.239332 0.001170


%chk=000239665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239665

0 1
O 4.596901 1.730191 0.001028
O -4.596896 -1.730160 0.001036
C 4.317809 -1.214969 0.001141
C -4.317806 1.214996 0.001129
C 3.136210 -0.225791 0.001085
C -3.136204 0.225820 0.001080
C 0.671160 0.250765 0.001047
C -0.671155 -0.250734 0.001047
C 1.817747 -0.646310 0.001081
C -1.817742 0.646340 0.001076
C 5.189146 -0.984118 1.276520
C 5.189385 -0.983943 -1.274043
C 3.846621 -2.692880 0.001001
C -5.189179 0.984099 1.276476
C -5.189344 0.984006 -1.274086
C -3.846622 2.692908 0.001050
C 3.407418 1.243378 0.000979
C -3.407412 -1.243348 0.000989
C 2.243823 2.172220 0.001019
C -2.243817 -2.172191 0.001025
C 0.956406 1.676259 0.001039
C -0.956401 -1.676229 0.001042
C 2.547332 3.649784 0.001008
C -2.547326 -3.649754 0.001016
H 1.628562 -1.719943 0.001127
H -1.628557 1.719973 0.001115
H 4.595137 -1.144588 2.195752
H 6.030740 -1.701943 1.282621
H 5.599192 0.037801 1.291880
H 5.599426 0.037983 -1.289187
H 4.595551 -1.144293 -2.193409
H 6.030986 -1.701760 -1.280079
H 3.251459 -2.939573 -0.898726
H 3.251267 -2.939680 0.900571
H 4.733458 -3.351626 0.001056
H -4.595198 1.144547 2.195730
H -6.030779 1.701917 1.282573
H -5.599217 -0.037824 1.291793
H -5.599382 -0.037920 -1.289274
H -4.595483 1.144385 -2.193430
H -6.030946 1.701822 -1.280126
H -3.251425 2.939627 -0.898647
H -3.251305 2.939685 0.900651
H -4.733462 3.351651 0.001088
H 0.132380 2.395152 0.001041
H -0.132374 -2.395121 0.001045
H 3.157841 3.922550 0.881260
H 1.624518 4.253809 0.001021
H 3.157811 3.922542 -0.879267
H -3.157798 -3.922515 -0.879264
H -3.157843 -3.922517 0.881263
H -1.624513 -4.253779 0.001039


