%chk=000001812.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001812

0 1
O -1.965937 -1.260466 0.015546
O 2.079771 -0.973190 -1.363287
O 1.363943 1.729658 1.780407
O -4.777888 2.705576 -0.102417
O 6.753774 -1.088737 -0.407983
C 0.405699 0.177716 0.134012
C -0.933114 0.896993 0.112001
C -3.146056 -2.217469 -0.027757
C -2.126062 0.130207 0.034089
C 0.842740 -0.149560 -1.313984
C -3.412611 0.729408 -0.033131
C 1.553805 0.889348 0.872760
C -4.476820 -1.486773 -0.086002
C -1.059311 2.306090 0.104364
C 2.912111 0.441945 0.489005
C -4.593637 -0.130976 -0.093248
C -2.919393 -3.069822 -1.295763
C -3.026140 -3.066534 1.256915
C -3.487198 2.145263 -0.034437
C 3.123316 -0.501871 -0.566983
C -2.319234 2.936689 0.029431
C 4.042896 0.879843 1.232172
C 4.407681 -1.008165 -0.848117
C 5.329168 0.398382 0.961232
C 5.500426 -0.557923 -0.082356
H 0.264578 -0.797280 0.648081
H 0.081555 -0.758818 -1.822644
H 1.028102 0.781718 -1.886790
H -5.363190 -2.131286 -0.123208
H -0.159647 2.920346 0.192150
H -5.573362 0.353030 -0.137897
H -1.925168 -3.548844 -1.256687
H -3.687928 -3.860903 -1.370240
H -2.977865 -2.440628 -2.199932
H -3.809829 -3.845989 1.276813
H -2.038616 -3.559016 1.294805
H -3.141414 -2.431681 2.151330
H -2.387163 4.031352 0.034854
H 3.865124 1.597392 2.039964
H 4.555254 -1.725872 -1.657948
H 6.190189 0.741974 1.547565
H -4.727205 3.692670 -0.082183
H 7.462259 -0.704397 0.166197


%chk=000001812-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001812

0 1
O -1.962002 -1.288333 -0.375304
O 2.116345 -0.781394 -1.554483
O 1.321085 1.428631 1.958370
O -4.791277 2.634483 0.030786
O 6.786022 -0.945193 -0.585221
C 0.408004 0.124188 0.068382
C -0.936306 0.831344 0.128327
C -3.145482 -2.209448 -0.126592
C -2.118082 0.079265 -0.096782
C 0.865032 0.007994 -1.405936
C -3.409830 0.675438 -0.138132
C 1.538589 0.731880 0.921099
C -4.438943 -1.515910 -0.532910
C -1.078650 2.224386 0.335422
C 2.909193 0.368860 0.488124
C -4.560329 -0.159491 -0.485859
C -2.841786 -3.439330 -0.995605
C -3.150847 -2.551776 1.381560
C -3.500244 2.074409 0.076864
C 3.145494 -0.408948 -0.690529
C -2.343998 2.849227 0.317082
C 4.026476 0.715801 1.296461
C 4.441548 -0.846118 -1.029758
C 5.323855 0.302631 0.970418
C 5.520388 -0.490233 -0.197952
H 0.265670 -0.915066 0.435866
H 0.118986 -0.536218 -2.002799
H 1.040482 1.013179 -1.840016
H -5.278265 -2.158387 -0.823130
H -0.191218 2.823639 0.553610
H -5.503182 0.341975 -0.722764
H -1.861872 -3.867105 -0.722770
H -3.616731 -4.211970 -0.843166
H -2.821694 -3.164760 -2.063615
H -3.986379 -3.237346 1.613386
H -2.202624 -3.040484 1.668949
H -3.281071 -1.638008 1.986864
H -2.425110 3.927983 0.498763
H 3.830052 1.305958 2.197699
H 4.607877 -1.437839 -1.932497
H 6.174507 0.574575 1.607341
H -4.749153 3.613113 0.165545
H 7.483072 -0.636203 0.045603


