%chk=000256176.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256176

0 1
O -2.224500 2.746748 -1.378927
O 1.238436 3.328839 -0.766490
O -1.171881 3.086035 2.744209
O -2.068144 -3.110457 0.052989
O 2.412051 -2.393437 0.581865
O -4.929226 -2.910915 -0.562656
O 5.011468 -1.399121 1.244520
N -0.348480 1.609020 -0.531156
C -0.705566 2.682297 0.468117
C -1.471679 1.515908 -1.509944
C 1.005326 1.931963 -1.072423
C -2.048874 3.267413 -0.037276
C 0.470391 3.690137 0.408638
C -0.835678 2.009277 1.844965
C -2.357609 0.325544 -1.190764
C 2.062086 1.064932 -0.413166
C -1.808415 -0.874272 -0.726232
C 1.811218 -0.288323 -0.154307
C -3.738005 0.430531 -1.420237
C 3.308593 1.619384 -0.111751
C -2.649465 -1.965405 -0.484903
C 2.816713 -1.090459 0.398632
C -4.582538 -0.651427 -1.172453
C 4.320748 0.828928 0.444803
C -4.041328 -1.854809 -0.698554
C 4.086312 -0.523288 0.699753
C -2.049952 -4.234115 -0.871003
C 3.351535 -3.322332 1.177294
C -4.949970 -3.524131 0.755801
C 6.327148 -0.874220 1.545183
H -1.151815 1.504362 -2.578316
H 1.080594 1.881029 -2.184066
H -2.050290 4.360375 -0.166979
H -2.913137 2.951531 0.569013
H 1.135352 3.629569 1.285325
H 0.168684 4.732858 0.227022
H 0.115114 1.543261 2.163513
H -1.639850 1.250807 1.855267
H -1.287591 2.738755 3.649271
H -0.730511 -0.972176 -0.534677
H 0.828723 -0.733572 -0.362080
H -4.148769 1.376779 -1.782595
H 3.488546 2.678528 -0.308559
H -5.656060 -0.581372 -1.342051
H 5.282196 1.281835 0.671021
H -1.390050 -4.002124 -1.711410
H -3.064953 -4.465867 -1.211208
H -1.635309 -5.036261 -0.251710
H 3.633837 -2.982842 2.179242
H 4.232518 -3.427651 0.535417
H 2.761756 -4.245026 1.213221
H -5.576842 -4.406419 0.589865
H -3.939080 -3.799592 1.079060
H -5.415715 -2.830324 1.460745
H 6.834706 -1.762585 1.941843
H 6.814237 -0.519428 0.632302
H 6.260096 -0.089398 2.304002


%chk=000256176-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256176

0 1
O -2.034944 2.743936 -1.377166
O 1.140823 3.363103 -0.544824
O -1.329334 2.601699 2.928720
O -2.548816 -3.085417 0.317851
O 3.060718 -2.400260 0.347398
O -5.207734 -2.853398 -0.888691
O 5.575862 -1.174674 0.871912
N -0.259977 1.441904 -0.493743
C -0.708977 2.362857 0.627287
C -1.351506 1.423007 -1.489434
C 1.062714 1.942498 -0.965316
C -2.025571 3.018211 0.074398
C 0.475758 3.368815 0.772643
C -0.954949 1.586771 1.925136
C -2.356914 0.285810 -1.273208
C 2.242745 1.143868 -0.400401
C -2.015503 -0.886245 -0.561642
C 2.144543 -0.250539 -0.188131
C -3.642850 0.384967 -1.862883
C 3.478550 1.784023 -0.156440
C -2.940218 -1.942498 -0.423823
C 3.248481 -1.009067 0.251540
C -4.577303 -0.660268 -1.714861
C 4.595066 1.041918 0.287133
C -4.243881 -1.822489 -0.984528
C 4.499987 -0.356373 0.481857
C -2.453479 -4.326829 -0.486225
C 3.456224 -3.062992 1.606885
C -5.638983 -3.178369 0.490901
C 6.886395 -0.538574 1.028010
H -0.942534 1.384923 -2.515251
H 1.097488 1.953729 -2.070627
H -2.048949 4.110656 0.193169
H -2.914525 2.568286 0.558620
H 1.176961 3.033787 1.563122
H 0.153907 4.399505 0.973546
H -0.028978 1.051618 2.219645
H -1.768612 0.848720 1.778453
H -1.547162 2.158529 3.785612
H -1.023974 -0.990047 -0.112478
H 1.200458 -0.773973 -0.360501
H -3.910700 1.295578 -2.408044
H 3.557412 2.864652 -0.310268
H -5.580734 -0.593965 -2.147605
H 5.542287 1.559999 0.465434
H -1.659797 -4.223470 -1.249986
H -3.417987 -4.555864 -0.974919
H -2.184009 -5.119919 0.227901
H 2.893376 -2.635573 2.459891
H 4.539820 -2.966314 1.783012
H 3.177239 -4.118942 1.469503
H -6.338727 -4.021597 0.387010
H -4.776276 -3.463040 1.119345
H -6.159954 -2.310538 0.938470
H 7.572089 -1.357621 1.290686
H 7.215316 -0.064234 0.083529
H 6.876739 0.215015 1.839380


