%chk=000185367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185367

0 1
O 0.139808 3.750806 -0.514016
O 0.719397 -0.949594 -0.236099
O -1.201548 -2.638110 1.068736
O 1.329018 4.733719 1.104104
O 2.175355 -1.177047 1.475792
C -1.501832 -0.315701 0.254575
C -2.003471 0.056630 -1.176492
C -0.035754 0.089664 0.485032
C 0.520424 1.414438 -0.070469
C -2.702780 1.422606 -1.279741
C -0.371169 2.413827 -0.866348
C -1.862933 2.499843 -0.569819
C -1.692129 -1.875365 0.277809
C -2.372748 0.186746 1.408918
C -2.847369 -1.129603 -1.599154
C 1.180072 2.273088 0.985171
C -2.954190 1.796512 -2.744526
C -2.639144 -2.203617 -0.825073
C 0.943855 3.703723 0.623654
C 1.914262 1.891417 2.025576
C 1.761430 -1.590681 0.421025
C 2.180474 -2.785296 -0.416547
C 3.710878 -2.797326 -0.573725
C 1.661765 -4.037546 0.290350
C 4.211132 -1.649541 -1.443797
H -1.107905 0.061714 -1.858382
H 0.208838 -0.009763 1.574597
H 1.340478 1.102746 -0.788078
H -3.693273 1.363787 -0.761181
H -0.172943 2.343750 -1.957557
H -2.214658 3.513316 -0.867878
H -2.032603 2.461156 0.529589
H -2.258420 1.270833 1.570923
H -3.437242 -0.006548 1.227992
H -2.107712 -0.309242 2.354373
H -3.496803 -1.057143 -2.459368
H -2.023829 1.886902 -3.316383
H -3.581446 1.056333 -3.252665
H -3.470524 2.761683 -2.823037
H -3.057594 -3.192766 -0.912682
H 2.120841 0.845660 2.264043
H 2.371947 2.596576 2.713208
H 1.700673 -2.707046 -1.427421
H 4.191507 -2.752773 0.426417
H 4.019651 -3.767234 -1.012680
H 0.578108 -3.969436 0.490344
H 1.826997 -4.934184 -0.316478
H 2.151989 -4.196271 1.259998
H 3.766511 -1.668984 -2.445297
H 5.299926 -1.699191 -1.570448
H 3.985882 -0.672566 -0.999085


%chk=000185367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185367

0 1
O 0.729270 3.491852 -0.653143
O 0.597836 -1.095347 -0.266607
O -1.474437 -2.498312 1.618257
O 1.313981 4.748817 1.225534
O 2.433824 -1.230003 1.164853
C -1.538233 -0.271426 0.461325
C -1.994013 -0.011028 -1.015541
C -0.023344 -0.070816 0.648560
C 0.594416 1.304729 0.303010
C -2.464176 1.418999 -1.395396
C 0.020583 2.171493 -0.870158
C -1.485157 2.513155 -0.869922
C -1.912395 -1.777001 0.683060
C -2.353273 0.486987 1.551757
C -2.979813 -1.139371 -1.282534
C 0.725174 2.336860 1.415843
C -2.638472 1.542039 -2.930542
C -2.902779 -2.140658 -0.356044
C 0.954568 3.662304 0.741957
C 0.758876 2.196035 2.761950
C 1.818304 -1.652843 0.160535
C 2.223650 -2.827185 -0.718937
C 3.730856 -2.754396 -1.076460
C 1.879555 -4.137222 0.047547
C 4.100959 -1.539551 -1.953665
H -1.109125 -0.230471 -1.655658
H 0.272107 -0.350161 1.677367
H 1.642017 1.078900 0.010401
H -3.449101 1.609036 -0.923292
H 0.361102 1.813948 -1.855550
H -1.594273 3.415405 -1.500952
H -1.763438 2.828713 0.151501
H -2.086526 1.551666 1.622654
H -3.436365 0.408968 1.351261
H -2.158251 0.025437 2.536676
H -3.629653 -1.152672 -2.164527
H -1.668092 1.433892 -3.452181
H -3.322798 0.774978 -3.335881
H -3.053718 2.530271 -3.197338
H -3.446351 -3.088119 -0.355545
H 0.634829 1.228300 3.258769
H 0.930594 3.075756 3.392696
H 1.616894 -2.782377 -1.642581
H 4.313242 -2.730351 -0.135708
H 4.000575 -3.691630 -1.601226
H 0.813488 -4.172492 0.333525
H 2.100963 -5.010515 -0.591647
H 2.486574 -4.213812 0.967048
H 3.528775 -1.537890 -2.900698
H 5.175879 -1.549616 -2.208809
H 3.896087 -0.588376 -1.427745


