%chk=000237802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237802

0 1
O 3.524483 0.885417 0.443677
O 2.920523 -4.035600 0.209149
O -6.166430 -0.463410 -0.515529
O 3.942669 0.993794 -1.796803
C -0.619313 0.312808 0.061229
C 0.239202 -0.807991 0.090931
C -0.102764 1.623066 0.130783
C 1.657307 -0.623898 0.190816
C 1.312631 1.826671 0.226307
C 2.144811 0.697245 0.252447
C -2.082697 0.108069 -0.046520
C -0.264615 -2.160390 0.017730
C 2.524923 -1.761053 0.231377
C -0.954730 2.791421 0.103770
C 1.832431 3.170993 0.299038
C 1.986009 -3.023113 0.158355
C 0.568692 -3.239037 0.047503
C -2.687839 0.035263 -1.317205
C -2.864591 -0.010625 1.108539
C -0.429868 4.046820 0.169791
C 0.991394 4.241826 0.270579
C -4.057865 -0.156948 -1.432373
C -4.246853 -0.204607 1.017085
C -4.827544 -0.275474 -0.254464
C 4.359618 0.998670 -0.671018
C 2.456033 -5.402183 0.109762
C 5.753037 1.124223 -0.162424
C -7.066002 -0.588359 0.612113
H -1.346196 -2.298424 -0.064459
H 3.598105 -1.610102 0.325519
H -2.032083 2.635779 0.026752
H 2.912804 3.288911 0.380423
H 0.177293 -4.250391 -0.010803
H -2.071266 0.132400 -2.212760
H -2.392709 0.049393 2.090436
H -1.069092 4.927810 0.147253
H 1.369744 5.261346 0.322507
H -4.549113 -0.216050 -2.401166
H -4.840298 -0.294430 1.920114
H 1.962502 -5.569346 -0.851722
H 1.806781 -5.647329 0.954702
H 3.399938 -5.961172 0.166585
H 5.799210 1.157703 0.938882
H 6.230629 2.037170 -0.550549
H 6.364228 0.269222 -0.494126
H -8.034610 -0.719556 0.111682
H -7.055573 0.327049 1.210490
H -6.810047 -1.469482 1.207098


%chk=000237802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237802

0 1
O 3.591711 0.898728 0.483832
O 3.037098 -4.088189 0.073960
O -6.280482 -0.629202 -0.526412
O 3.949486 1.080595 -1.832412
C -0.634444 0.277457 0.090957
C 0.261394 -0.838261 0.078775
C -0.115261 1.603661 0.228547
C 1.703984 -0.633434 0.188187
C 1.324739 1.816964 0.355790
C 2.181020 0.694142 0.316518
C -2.111604 0.053333 -0.040053
C -0.205144 -2.197471 -0.016932
C 2.588060 -1.759266 0.180398
C -0.966957 2.768896 0.212659
C 1.830917 3.157411 0.505850
C 2.086586 -3.054949 0.069656
C 0.668231 -3.279277 -0.025315
C -2.674588 -0.419935 -1.258831
C -2.990388 0.303824 1.042838
C -0.445040 4.051252 0.346106
C 0.969335 4.247520 0.506312
C -4.058298 -0.632037 -1.390536
C -4.383360 0.089595 0.932299
C -4.919266 -0.380215 -0.292396
C 4.402612 1.073232 -0.675712
C 2.558429 -5.467031 -0.053624
C 5.845020 1.233550 -0.251394
C -7.213653 -0.376537 0.574113
H -1.282361 -2.377827 -0.074030
H 3.666273 -1.613410 0.277596
H -2.043597 2.628072 0.080134
H 2.908894 3.299946 0.625737
H 0.268243 -4.295113 -0.094368
H -2.016328 -0.607900 -2.114421
H -2.577728 0.660444 1.993448
H -1.112077 4.919996 0.325007
H 1.365583 5.262469 0.620728
H -4.493955 -0.987296 -2.329344
H -5.027284 0.287152 1.794628
H 2.016990 -5.621708 -1.006933
H 1.907370 -5.751439 0.795767
H 3.468290 -6.084988 -0.042439
H 5.938530 2.045931 0.489291
H 6.469161 1.449311 -1.130193
H 6.198329 0.307285 0.235167
H -8.206043 -0.627935 0.172221
H -7.194504 0.686917 0.882770
H -6.991021 -1.020163 1.447558


