%chk=000198788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198788

0 1
O -1.683965 3.319022 0.087963
O 1.768703 -2.135622 -0.570387
O -2.327846 -2.653754 -0.181491
O -4.062604 2.435122 0.290107
O -6.411719 1.642530 0.494342
O -7.363743 -3.002041 0.333120
C 0.552640 0.465416 -0.307930
C 1.973856 0.241297 -0.469749
C 0.083265 1.790947 -0.184611
C 2.858887 1.357963 -0.503318
C -1.751913 -0.348288 -0.111095
C -2.252990 0.977517 0.016595
C 4.808085 -0.084749 -0.791792
C 6.290760 -0.270654 -0.958335
C -0.410146 -0.598058 -0.266632
C -1.327236 2.029202 -0.022181
C 6.959377 -0.524856 0.402405
C 4.256709 1.179925 -0.662999
C 2.594685 -1.041978 -0.603163
C 0.995353 2.902396 -0.219639
C 2.328897 2.694515 -0.373150
C 3.962176 -1.217685 -0.759574
C 8.472141 -0.726342 0.252988
C -2.702132 -1.504572 -0.076380
C -3.680885 1.265651 0.183840
C -4.621092 0.135486 0.219641
C -4.175054 -1.195906 0.097197
C 9.139251 -0.978292 1.612682
C -6.013644 0.352776 0.379405
C -5.058187 -2.266098 0.130349
C 10.646162 -1.180357 1.472622
C -6.437255 -2.003200 0.291315
C -6.937394 -0.706681 0.417491
H 6.500602 -1.113431 -1.648558
H 6.744848 0.619079 -1.441358
H -0.076598 -1.642286 -0.361239
H 6.502329 -1.411659 0.883885
H 6.753605 0.325580 1.082450
H 4.896620 2.059919 -0.680423
H 0.573622 3.907768 -0.118916
H 3.029719 3.528412 -0.401758
H 4.390499 -2.210096 -0.853888
H 8.677489 -1.574982 -0.427509
H 8.927779 0.160575 -0.228233
H 8.686606 -1.866241 2.096151
H 8.938203 -0.128337 2.294259
H -4.680843 -3.285054 0.032780
H -2.732886 3.434380 0.205419
H 11.132827 -0.302556 1.032340
H 11.113618 -1.358595 2.447764
H 10.881823 -2.039780 0.834746
H -8.003932 -0.542554 0.539747
H 2.265358 -2.989313 -0.669108
H -7.399692 1.730112 0.603922
H -6.956238 -3.904773 0.238890


%chk=000198788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198788

0 1
O -1.788393 3.376475 0.036594
O 1.808831 -2.195367 -0.532166
O -2.379082 -2.690852 -0.116948
O -4.112625 2.555040 0.237895
O -6.627379 1.672310 0.449444
O -7.425064 -3.072216 0.358257
C 0.519785 0.464373 -0.302130
C 1.960529 0.248200 -0.460440
C 0.036311 1.820641 -0.205130
C 2.845078 1.395880 -0.517084
C -1.813086 -0.338829 -0.093428
C -2.312875 1.002998 0.003252
C 4.846915 -0.024561 -0.787282
C 6.349912 -0.200149 -0.922363
C -0.443400 -0.595846 -0.239773
C -1.375043 2.075591 -0.052127
C 7.043924 -0.545112 0.425758
C 4.254848 1.240878 -0.680102
C 2.602361 -1.036052 -0.574816
C 0.938041 2.935863 -0.260795
C 2.295130 2.725638 -0.412685
C 3.992653 -1.161431 -0.732020
C 8.568932 -0.738063 0.275967
C -2.761787 -1.477352 -0.038776
C -3.740638 1.307131 0.154988
C -4.703652 0.193401 0.209409
C -4.227204 -1.157092 0.115189
C 9.273434 -1.079104 1.609083
C -6.120173 0.381187 0.354266
C -5.105246 -2.256526 0.161760
C 10.797212 -1.271871 1.450791
C -6.491221 -2.034988 0.304416
C -6.998628 -0.724568 0.400441
H 6.573690 -1.006906 -1.649116
H 6.799876 0.727117 -1.326711
H -0.121084 -1.633637 -0.307302
H 6.591975 -1.466564 0.846041
H 6.837907 0.262758 1.156114
H 4.879285 2.141077 -0.722967
H 0.515639 3.940707 -0.181845
H 2.986806 3.574624 -0.457879
H 4.433089 -2.165105 -0.820645
H 8.767865 -1.545681 -0.459877
H 9.016942 0.184908 -0.148525
H 8.825173 -2.000848 2.033170
H 9.075272 -0.271870 2.343224
H -4.671075 -3.260343 0.084257
H -2.845105 3.331032 0.141163
H 11.275645 -0.352484 1.063608
H 11.275981 -1.520811 2.415579
H 11.021463 -2.090495 0.740951
H -8.080187 -0.585437 0.510471
H 2.367699 -3.006640 -0.625694
H -7.614801 1.649800 0.543977
H -6.981957 -3.954028 0.283559


