%chk=000256990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256990

0 1
O 1.056737 1.905378 0.893082
O 5.651137 2.104870 0.885501
O 5.601805 -2.578494 -0.700611
O 7.204592 -0.215299 0.030258
O -5.392136 -0.158835 -2.395808
O -5.982707 -0.024074 2.512610
O -7.170782 -0.562573 -0.128702
N 1.560566 -0.232441 0.088811
C 0.794399 -1.436421 -0.372080
C -0.696008 -1.052027 -0.248352
C -0.717653 0.353029 0.275431
C 0.694763 0.828373 0.477920
C 2.982111 -0.230840 0.103641
C -1.779432 1.115081 0.548163
C 3.682873 -1.385748 -0.289577
C 3.684552 0.912671 0.526614
C -3.177500 0.681308 0.363435
C 5.081859 0.904571 0.519799
C 5.089176 -1.374385 -0.301052
C 5.812361 -0.221803 0.073335
C -3.991903 0.507756 1.483337
C -3.684049 0.483412 -0.929761
C -5.015732 0.083114 -1.089317
C -5.329556 0.090964 1.318113
C -5.849258 -0.152448 0.028017
C 6.789477 2.043522 1.787703
C 7.038694 -2.780866 -0.646738
C 7.716977 0.531491 -1.113748
C -6.648505 0.437763 -2.822098
C -7.400721 -0.337579 2.509052
C -7.277555 -1.963761 -0.519479
H 1.044028 -2.312094 0.263763
H 1.067669 -1.681567 -1.420224
H -1.236885 -1.737730 0.433477
H -1.216461 -1.122045 -1.224163
H -1.655386 2.134700 0.941305
H 3.185531 -2.302427 -0.589393
H 3.162668 1.815540 0.865682
H -3.617634 0.682828 2.491063
H -3.066865 0.649425 -1.809901
H 6.419797 1.792205 2.786360
H 7.167223 3.070821 1.747786
H 7.539288 1.319006 1.450265
H 7.512299 -2.228066 -1.462029
H 7.117095 -3.864690 -0.786917
H 7.439417 -2.462847 0.322646
H 7.386939 1.574066 -1.056026
H 8.799276 0.443525 -0.984810
H 7.380680 0.068583 -2.044302
H -6.813834 -0.044854 -3.791265
H -7.458077 0.221428 -2.115389
H -6.498074 1.515737 -2.932419
H -7.670187 -0.155141 3.555922
H -7.540890 -1.384370 2.228244
H -7.942532 0.326319 1.825865
H -6.763467 -2.126996 -1.472799
H -6.862444 -2.602261 0.263818
H -8.359354 -2.095404 -0.617562


%chk=000256990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256990

0 1
O 0.967578 1.098818 1.563782
O 5.685372 1.652024 1.726359
O 5.978982 -1.595632 -2.002115
O 7.329580 0.171167 -0.122280
O -5.514086 -1.748644 -1.675373
O -6.327145 1.124586 2.281275
O -7.388290 -0.561252 0.179084
N 1.656666 -0.327546 -0.228454
C 1.022970 -1.207432 -1.240201
C -0.510513 -1.041106 -1.038796
C -0.649169 -0.109496 0.147151
C 0.709272 0.311481 0.604413
C 3.072337 -0.209543 -0.156155
C -1.754108 0.362791 0.803050
C 3.877743 -0.977341 -1.039801
C 3.702768 0.646704 0.789905
C -3.178709 0.113465 0.563178
C 5.104994 0.740925 0.811650
C 5.284336 -0.865084 -1.018511
C 5.920380 0.019062 -0.106316
C -4.112684 0.739058 1.437832
C -3.690384 -0.694349 -0.495083
C -5.074979 -0.887654 -0.641175
C -5.502190 0.541768 1.304329
C -6.000485 -0.308397 0.275029
C 6.562800 1.033138 2.745848
C 7.112588 -2.428417 -1.542127
C 7.774556 1.498694 -0.617321
C -6.400295 -1.118962 -2.682469
C -7.470002 1.934506 1.802231
C -7.765454 -1.959847 0.510660
H 1.342951 -2.254781 -1.082538
H 1.340173 -0.905364 -2.255204
H -0.992346 -2.018228 -0.852858
H -0.979710 -0.614742 -1.944960
H -1.521960 1.034706 1.643796
H 3.451525 -1.666953 -1.771202
H 3.110719 1.228138 1.497585
H -3.764409 1.380001 2.254369
H -3.040350 -1.180762 -1.223181
H 5.975198 0.346133 3.384024
H 6.942664 1.870826 3.350479
H 7.397974 0.488176 2.270005
H 7.872157 -1.811638 -1.034945
H 7.522648 -2.881881 -2.457542
H 6.748358 -3.221591 -0.860578
H 7.366626 2.302182 0.021496
H 8.873970 1.480719 -0.561040
H 7.449257 1.640737 -1.664477
H -6.662792 -1.925707 -3.383606
H -7.308346 -0.706435 -2.208200
H -5.856268 -0.317440 -3.217493
H -7.983867 2.268285 2.716329
H -8.143958 1.331474 1.172084
H -7.100665 2.812489 1.237932
H -7.247981 -2.667558 -0.161186
H -7.512710 -2.176187 1.564556
H -8.854888 -2.012685 0.363254


