%chk=000231672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231672

0 1
O 3.123385 -0.080962 -1.062228
O 3.766895 -1.646191 0.517566
O 3.643858 2.837309 0.013364
O -6.806793 -0.796405 -1.028411
C 1.418526 0.971051 0.373575
C 0.752278 -0.404842 0.706090
C 2.914265 0.549382 0.217450
C -0.727041 -0.205806 1.052579
C -1.426325 0.354893 -0.223403
C 3.112242 -0.602533 1.260575
C 1.708287 -1.051339 1.721106
C 0.759962 1.531971 -0.892151
C -0.759949 1.662823 -0.697608
C -2.962011 0.505085 0.017134
C 1.320211 1.975582 1.531123
C -1.400072 -1.463474 1.518511
C 3.603353 -1.450365 -0.908036
C 3.955963 1.691881 0.233969
C -3.532942 -0.856629 0.428007
C -3.637521 0.960973 -1.302780
C -3.269068 1.500404 1.147810
C -2.683272 -1.735027 1.244811
C -5.162309 0.910374 -1.237988
C 2.552663 -2.391165 -1.461219
C 4.976465 -1.556013 -1.542140
C 5.371332 1.286715 0.510774
C -4.772015 -1.244660 0.074590
C -5.682274 -0.429143 -0.753861
H 0.795125 -1.042017 -0.227232
H -0.818155 0.547277 1.881301
H -1.295936 -0.404971 -1.036186
H 3.801258 -0.385728 2.094159
H 1.501794 -0.726293 2.753086
H 1.639588 -2.153471 1.716079
H 0.994276 0.877725 -1.755968
H 1.200982 2.517347 -1.144366
H -0.970003 2.476182 0.024585
H -1.213369 1.986933 -1.654333
H 1.737801 2.951157 1.236584
H 0.275775 2.150800 1.817202
H 1.849823 1.644830 2.427660
H -0.789734 -2.138325 2.118634
H -3.285977 0.319650 -2.136162
H -3.315022 1.990110 -1.553458
H -2.882110 2.498929 0.917518
H -4.348876 1.595762 1.313863
H -2.825799 1.181957 2.098381
H -3.158157 -2.646103 1.616258
H -5.601174 1.138556 -2.231301
H -5.557098 1.700126 -0.564691
H 2.530555 -2.378078 -2.556860
H 2.732860 -3.421479 -1.130852
H 1.544842 -2.099096 -1.110327
H 5.367760 -2.578752 -1.485627
H 4.950579 -1.251119 -2.596032
H 5.694830 -0.896050 -1.025259
H 5.557404 1.166262 1.585663
H 5.631650 0.328519 0.021611
H 6.077433 2.049345 0.148752
H -5.189918 -2.206374 0.378406


%chk=000231672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231672

0 1
O 3.036551 -0.231911 -1.142445
O 3.912716 -1.642180 0.551038
O 3.727647 2.734237 -0.494410
O -6.846560 -0.901568 -1.269205
C 1.440821 1.009291 0.355363
C 0.744024 -0.348295 0.704655
C 2.912056 0.523551 0.146251
C -0.747990 -0.162634 1.061400
C -1.472519 0.460627 -0.174887
C 3.130409 -0.588202 1.231836
C 1.709798 -1.022458 1.709442
C 0.732558 1.625098 -0.874212
C -0.793339 1.784689 -0.621606
C -3.028252 0.556078 0.048766
C 1.437587 2.013822 1.545079
C -1.423376 -1.449053 1.482700
C 3.670872 -1.567575 -0.909933
C 3.994584 1.630183 0.048867
C -3.550743 -0.865561 0.330744
C -3.719676 1.110595 -1.232184
C -3.375302 1.453404 1.277823
C -2.704909 -1.763024 1.121128
C -5.256460 0.959972 -1.219430
C 2.699122 -2.662184 -1.374319
C 5.020821 -1.640990 -1.630082
C 5.387406 1.347604 0.600247
C -4.790127 -1.292398 -0.102564
C -5.712735 -0.463431 -0.892649
H 0.763837 -0.943130 -0.231377
H -0.813181 0.546262 1.917546
H -1.329577 -0.266646 -1.007027
H 3.768639 -0.267965 2.071385
H 1.529922 -0.660284 2.739539
H 1.642799 -2.123838 1.727876
H 0.897616 0.961224 -1.744363
H 1.181174 2.603143 -1.121888
H -0.968041 2.577032 0.132522
H -1.256902 2.142498 -1.559282
H 1.928321 2.953186 1.239907
H 0.411288 2.265602 1.859362
H 1.964730 1.624301 2.436449
H -0.848326 -2.150026 2.102961
H -3.313174 0.570660 -2.111689
H -3.462928 2.178412 -1.361597
H -2.972325 2.473886 1.144618
H -4.468435 1.533306 1.408705
H -2.967394 1.037283 2.215545
H -3.140314 -2.724917 1.423472
H -5.696691 1.249053 -2.190523
H -5.709008 1.634848 -0.464471
H 2.429191 -2.499701 -2.432025
H 3.180364 -3.650998 -1.279787
H 1.779038 -2.663918 -0.769282
H 5.542047 -2.574268 -1.355144
H 4.866515 -1.629481 -2.722544
H 5.656577 -0.784415 -1.357672
H 5.441438 1.740502 1.635767
H 5.622862 0.272205 0.637414
H 6.138365 1.891439 0.004339
H -5.142314 -2.305439 0.134147


