%chk=000192173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192173

0 1
O -2.988229 0.630328 2.548820
O 0.207580 1.218853 1.708667
O -2.034008 1.961433 -0.618434
O -5.606539 1.638365 1.401195
O -3.599025 -0.359583 -0.756506
O -5.200057 -1.029330 0.689906
O 5.699637 -0.765727 -0.613773
N -0.590997 -0.372474 0.155040
N 0.183532 0.117098 -0.943911
C -0.972925 0.615225 1.199523
C -1.865239 1.838230 0.777232
C -3.184651 1.663374 1.563792
C -1.756252 -0.097575 2.326093
C -4.419056 1.319030 0.700416
C -4.491442 -0.152177 0.277548
C 1.602830 -0.123393 -0.747640
C 2.054660 -1.380976 -0.320682
C 2.530205 0.879580 -1.109764
C -3.631017 -1.662676 -1.447743
C 3.424351 -1.652045 -0.250920
C 3.891295 0.618724 -1.057992
C 4.330254 -0.652476 -0.624643
C -2.732541 -1.465215 -2.645061
C 6.284110 -2.043622 -0.201976
C 7.774154 -1.794258 -0.326419
H -1.344319 2.793689 1.044655
H -3.431464 2.566329 2.176350
H -1.220944 -0.050114 3.292482
H -2.047168 -1.137213 2.102857
H -4.465714 1.989109 -0.201870
H -1.434510 -0.829345 -0.250955
H 0.951691 0.568556 1.771684
H -2.451283 1.149571 -1.027732
H 0.000131 1.126115 -1.135937
H -5.712557 1.047052 2.194981
H 1.333761 -2.151240 -0.042467
H 2.180987 1.859563 -1.435640
H -3.267919 -2.417397 -0.729701
H -4.683015 -1.871734 -1.712082
H 3.759127 -2.628336 0.082572
H 4.628093 1.368924 -1.339025
H -3.058587 -0.617243 -3.264117
H -1.685597 -1.266418 -2.364684
H -2.729043 -2.357212 -3.286499
H 5.922452 -2.829344 -0.887007
H 5.969831 -2.252444 0.834747
H 8.353638 -2.680434 -0.045017
H 8.093229 -0.959210 0.313403
H 8.047350 -1.519237 -1.355167


%chk=000192173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192173

0 1
O -2.987915 0.805084 2.753979
O 0.169980 1.131988 1.941498
O -1.980351 1.912797 -0.608387
O -5.647472 1.395379 1.733352
O -3.759800 -0.128766 -0.985081
O -4.971696 -1.145955 0.730240
O 5.790057 -0.818732 -0.870237
N -0.614770 -0.419921 0.308795
N 0.186363 0.063695 -0.760720
C -1.023641 0.548709 1.339479
C -1.869936 1.800428 0.840663
C -3.218918 1.721467 1.615987
C -1.940718 -0.165479 2.365956
C -4.507509 1.292704 0.838900
C -4.462555 -0.122679 0.236804
C 1.587304 -0.178968 -0.715613
C 2.149382 -1.231395 0.048013
C 2.450228 0.626454 -1.512144
C -3.697173 -1.427250 -1.746335
C 3.543212 -1.475991 0.025912
C 3.832959 0.382613 -1.538690
C 4.391686 -0.669204 -0.769231
C -2.700974 -1.240103 -2.886167
C 6.413905 -1.900656 -0.090288
C 7.913790 -1.840438 -0.369916
H -1.319370 2.697252 1.156770
H -3.482490 2.690849 2.071592
H -1.391267 -0.425178 3.282998
H -2.406365 -1.080095 1.943333
H -4.692922 2.021184 0.032404
H -1.362176 -1.047684 -0.007284
H 0.863800 0.422918 2.004619
H -2.584136 1.193500 -0.960899
H -0.124413 0.974468 -1.129339
H -5.485854 0.783319 2.500000
H 1.487977 -1.864303 0.647903
H 2.033773 1.449364 -2.105865
H -3.404708 -2.225761 -1.040475
H -4.720430 -1.637576 -2.102709
H 3.944512 -2.298236 0.626336
H 4.502468 1.001658 -2.144017
H -3.016077 -0.423612 -3.558246
H -1.684488 -1.018420 -2.513964
H -2.651441 -2.170588 -3.480270
H 5.986474 -2.877402 -0.401044
H 6.201114 -1.752427 0.989532
H 8.438951 -2.635213 0.190718
H 8.326563 -0.863919 -0.064153
H 8.113866 -1.979177 -1.446110


