%chk=000183754.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183754

0 1
O -2.889080 -2.946965 1.394856
O -0.046611 3.505732 -0.564808
O 0.753961 -2.502622 -0.553071
O 3.141824 -1.847984 0.356153
C -2.407271 0.730424 -0.630456
C -1.422512 -0.414707 -1.041466
C -2.847261 0.763080 0.875219
C -1.978480 -1.752739 -0.511123
C -3.323178 -0.643482 1.309073
C -2.271202 -1.703312 0.991522
C -1.866314 2.086231 -1.096826
C 0.007279 -0.132094 -0.587951
C -1.367746 -0.503547 -2.586468
C -4.050515 1.724763 1.004668
C -1.744329 1.237327 1.832092
C 0.445949 1.198312 -0.409463
C -0.446211 2.361150 -0.669803
C 0.971594 -1.127171 -0.381963
C 1.749370 1.495444 0.026029
C 2.272376 -0.825542 0.099286
C 2.687084 0.501625 0.310435
C 4.071647 0.855628 0.811948
C 5.136814 0.368940 -0.178550
C 4.297159 0.262400 2.208061
C 1.042981 -2.950807 -1.909064
H -3.351589 0.535181 -1.206322
H -1.282024 -2.586484 -0.727703
H -2.911789 -2.010782 -1.050581
H -4.276052 -0.912449 0.812638
H -3.557355 -0.661884 2.390764
H -1.341389 -1.572502 1.586758
H -2.519495 2.910880 -0.731357
H -1.918267 2.163646 -2.203777
H -0.933129 0.398122 -3.031665
H -0.748813 -1.355713 -2.909508
H -2.363806 -0.639453 -3.019316
H -4.416001 1.762773 2.036764
H -3.777603 2.749048 0.724087
H -4.891438 1.421288 0.374290
H -2.081969 1.198303 2.874373
H -0.844362 0.617032 1.765665
H -1.447363 2.274487 1.641654
H -2.266684 -3.687931 1.290263
H 2.022250 2.553015 0.146750
H 4.150869 1.971476 0.889445
H 2.669770 -2.735212 0.255145
H 5.111220 -0.725023 -0.279479
H 6.142677 0.644734 0.153242
H 4.982532 0.796930 -1.174146
H 3.543922 0.616146 2.919534
H 5.282536 0.531967 2.600383
H 4.239312 -0.834935 2.184654
H 2.083862 -2.739861 -2.167026
H 0.355279 -2.458830 -2.614885
H 0.849470 -4.026652 -1.848273


%chk=000183754-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183754

0 1
O -2.942162 -3.097716 1.201306
O 0.044326 3.593331 -0.777387
O 0.707606 -2.538728 -0.381121
O 3.078179 -1.879768 0.530986
C -2.419069 0.779694 -0.604453
C -1.455447 -0.365210 -1.115401
C -2.830939 0.721925 0.923596
C -2.084496 -1.719616 -0.677956
C -3.308969 -0.720990 1.273839
C -2.322802 -1.805722 0.836768
C -1.891772 2.160212 -1.054964
C -0.008781 -0.117487 -0.624399
C -1.434075 -0.343550 -2.680310
C -4.046247 1.669091 1.145259
C -1.714298 1.154972 1.914455
C 0.469051 1.233176 -0.514416
C -0.412654 2.407612 -0.776808
C 0.946778 -1.118374 -0.324319
C 1.799343 1.516085 -0.107116
C 2.255842 -0.811246 0.158574
C 2.726122 0.523080 0.256867
C 4.129447 0.882945 0.742221
C 5.234644 0.291620 -0.173969
C 4.349478 0.471357 2.223729
C 1.063592 -3.149007 -1.689433
H -3.371022 0.599198 -1.151102
H -1.463704 -2.568016 -1.006563
H -3.069010 -1.812484 -1.180649
H -4.275668 -0.931220 0.772338
H -3.487386 -0.797307 2.363159
H -1.355090 -1.701863 1.370989
H -2.456601 2.994704 -0.604523
H -2.029226 2.275820 -2.149229
H -0.914125 0.542442 -3.082560
H -0.915996 -1.236110 -3.075608
H -2.467492 -0.354115 -3.075720
H -4.460938 1.518021 2.159674
H -3.767276 2.735118 1.061830
H -4.854767 1.465543 0.417432
H -2.121159 1.145328 2.943558
H -0.836976 0.487573 1.893761
H -1.360839 2.181938 1.710980
H -2.305579 -3.821517 0.969851
H 2.081586 2.573868 -0.055242
H 4.205181 1.987373 0.687475
H 2.500680 -2.696601 0.522428
H 5.215734 -0.811241 -0.148261
H 6.230609 0.629151 0.168161
H 5.102870 0.620033 -1.221233
H 3.592164 0.933790 2.882615
H 5.348604 0.800977 2.564656
H 4.288313 -0.624396 2.336731
H 2.080211 -2.844975 -2.001834
H 0.335471 -2.853049 -2.465124
H 1.020631 -4.238263 -1.532833


