%chk=000186352.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186352

0 1
O -3.174176 1.697809 -2.016596
O -1.480499 1.976646 1.205002
O -3.998937 0.806058 1.462874
O -4.112549 -1.707226 0.608908
C -3.063066 1.712989 -0.598446
C -1.581878 1.543945 -0.171540
C -3.962008 0.639205 0.047893
C -3.462582 -0.791689 -0.269304
C -1.088148 0.114984 -0.149714
C -1.957120 -0.944288 -0.166152
C 0.346006 -0.116594 -0.085262
C 0.823095 -1.469022 -0.071514
C -1.467384 -2.298361 -0.122224
C -0.132658 -2.552210 -0.083512
C 1.280669 0.928780 -0.030697
C 2.201119 -1.726521 -0.032540
C 2.659465 0.674690 0.011120
C 3.130479 -0.677722 0.004380
C 3.627501 1.747010 0.062283
C 4.554610 -0.920531 0.042333
C 4.962515 1.477158 0.098415
C 5.435040 0.118256 0.087244
H -3.436678 2.732557 -0.334962
H -0.936547 2.189414 -0.813164
H -5.029916 0.759660 -0.251889
H -3.808541 -1.125308 -1.279308
H -2.209699 -3.101588 -0.104792
H 0.247587 -3.573512 -0.053028
H 0.936079 1.963021 -0.002356
H 2.554445 -2.757811 -0.026800
H -2.819391 0.861833 -2.393352
H -1.573301 2.950628 1.268811
H -3.073076 0.950050 1.825367
H -4.145322 -1.323303 1.528871
H 3.257341 2.771079 0.072032
H 4.897981 -1.954134 0.034762
H 5.700759 2.276972 0.137025
H 6.510385 -0.051824 0.116533


%chk=000186352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186352

0 1
O -3.127604 1.497904 -2.105139
O -1.552748 2.034956 1.288316
O -3.987265 0.839792 1.536067
O -4.164683 -1.714083 0.730093
C -3.079954 1.662585 -0.642486
C -1.621706 1.548846 -0.137528
C -3.987415 0.640379 0.073428
C -3.518711 -0.805986 -0.224607
C -1.101827 0.121842 -0.141063
C -1.992253 -0.962241 -0.180716
C 0.334262 -0.113336 -0.090859
C 0.826082 -1.487705 -0.123112
C -1.488306 -2.312330 -0.184279
C -0.127316 -2.566864 -0.170380
C 1.282809 0.934933 -0.002031
C 2.218319 -1.738634 -0.091971
C 2.678885 0.687065 0.029163
C 3.163585 -0.686945 -0.022179
C 3.641329 1.756161 0.114014
C 4.583914 -0.927216 0.009524
C 5.006526 1.487727 0.142158
C 5.483556 0.131143 0.088790
H -3.458009 2.686699 -0.478185
H -0.987382 2.200025 -0.769640
H -5.033618 0.762709 -0.250038
H -3.898913 -1.129174 -1.212434
H -2.217918 -3.127840 -0.177837
H 0.245670 -3.597842 -0.182191
H 0.945927 1.974211 0.070012
H 2.571277 -2.777335 -0.117639
H -2.668214 0.652120 -2.350042
H -1.578336 3.026488 1.299764
H -3.094127 1.222170 1.798750
H -4.198204 -1.195697 1.586052
H 3.278788 2.790352 0.155382
H 4.944498 -1.962049 -0.028846
H 5.728881 2.308799 0.205797
H 6.561804 -0.060532 0.112594


