%chk=000182907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182907

0 1
O 0.639464 0.199512 0.004461
O 2.715899 -0.535246 0.289038
O 1.891043 2.808521 -0.837676
O 3.616122 3.199308 1.602511
O 5.777467 1.254220 1.203062
O 5.605612 -1.332203 1.907783
O 4.439187 -2.760959 0.641345
C -0.080613 -0.838416 -0.782804
C -1.382303 -0.898187 0.000054
C -2.332881 0.084399 -0.226620
C -2.015615 1.221970 -1.176411
C 1.950055 0.518356 -0.384844
C -0.328853 -0.282746 -2.185278
C 2.224426 1.910410 0.232636
C 3.698796 2.161411 0.614684
C -3.594605 0.043193 0.445186
C -1.235961 0.697992 -2.353908
C 4.385633 0.926521 1.232949
C 4.125452 -0.315852 0.349153
C 0.747299 -2.094079 -0.754344
C -1.634242 -1.913768 0.966629
C -3.210930 2.041325 -1.571404
C -3.832936 -0.965169 1.412761
C -4.632741 0.991104 0.135852
C 0.399695 -0.872916 -3.308280
C -2.817952 -1.941640 1.661392
C -4.391379 1.956936 -0.941781
C 1.308937 -2.614731 -1.855965
C 1.149731 -1.981817 -3.162871
C -5.083693 -0.979474 2.107335
C -5.829204 0.945890 0.821715
C 4.664808 -1.618436 0.928860
C -6.046268 -0.042560 1.821600
H -1.317004 1.917821 -0.605142
H 2.134442 0.452434 -1.473287
H 1.554717 2.096026 1.108616
H 4.284398 2.543121 -0.256031
H -1.448597 1.144067 -3.322260
H 4.055084 0.754833 2.282134
H 4.551106 -0.182051 -0.676796
H 0.915920 -2.513804 0.238737
H -0.866492 -2.666502 1.154984
H -3.045075 2.743082 -2.388361
H 0.286703 -0.381517 -4.275141
H -3.004650 -2.709635 2.409972
H -5.231884 2.593850 -1.220507
H 1.922042 -3.516274 -1.811780
H 1.670517 -2.439575 -4.002358
H -5.253785 -1.745202 2.861732
H 1.848598 3.729471 -0.489528
H -6.624711 1.656355 0.607367
H 4.523469 3.435084 1.910028
H 6.293904 0.580878 1.718268
H -6.998743 -0.045173 2.351261
H 5.999791 -2.149259 2.314669


%chk=000182907-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182907

0 1
O 0.545107 -0.104226 0.384719
O 2.821080 -0.611394 0.704357
O 1.166959 2.667182 -0.026071
O 3.660834 3.470950 1.094537
O 5.835604 1.672883 0.651546
O 6.406415 -0.936740 1.142687
O 4.746416 -2.562436 1.157729
C -0.166618 -1.084828 -0.620682
C -1.564441 -1.119890 0.000291
C -2.379995 0.011199 -0.180215
C -1.841323 1.194589 -0.983218
C 1.844392 0.332462 0.055210
C -0.210114 -0.411753 -2.002100
C 2.061325 1.731080 0.661697
C 3.520594 2.159616 0.455505
C -3.698113 0.051538 0.376327
C -0.997752 0.703412 -2.140269
C 4.522917 1.146646 1.027158
C 4.204097 -0.248667 0.406108
C 0.607678 -2.374742 -0.598759
C -2.041956 -2.221669 0.770949
C -2.882874 2.230439 -1.337586
C -4.169089 -1.057459 1.175470
C -4.581568 1.169293 0.118420
C 0.568845 -0.958399 -3.107098
C -3.308186 -2.186931 1.358023
C -4.129474 2.232318 -0.785413
C 1.294042 -2.836539 -1.689782
C 1.282248 -2.127295 -2.969144
C -5.484569 -0.997604 1.747109
C -5.863295 1.183519 0.693413
C 5.073362 -1.388943 0.936001
C -6.309133 0.106738 1.516789
H -1.097576 1.707138 -0.316263
H 2.037497 0.341932 -1.040851
H 1.832118 1.688601 1.745715
H 3.721609 2.251109 -0.635798
H -1.029015 1.253746 -3.089126
H 4.412750 1.081280 2.129844
H 4.382110 -0.179464 -0.694595
H 0.689485 -2.885229 0.365540
H -1.408567 -3.103427 0.903308
H -2.571973 3.030550 -2.021894
H 0.548144 -0.419148 -4.062407
H -3.661411 -3.031988 1.960217
H -4.840379 3.032570 -1.026212
H 1.886231 -3.754721 -1.603994
H 1.847282 -2.540048 -3.812233
H -5.833343 -1.833901 2.364174
H 1.436514 3.579616 0.259367
H -6.531963 2.030133 0.496773
H 4.613136 3.737998 1.019107
H 6.517592 1.000157 0.920550
H -7.311064 0.145191 1.958294
H 6.966607 -1.695544 1.460171


