%chk=000186245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186245

0 1
O -2.014752 -0.055545 1.377023
O -1.877160 -1.369070 -0.502067
O -3.286315 2.605932 -1.258582
O -2.005832 2.706982 1.965906
O -0.407615 1.178517 -1.637535
O -5.391763 -0.423759 1.387907
O 1.909166 -3.190712 0.233833
O 2.012200 1.504753 -0.107017
N 2.986582 -2.365525 0.515644
N 3.672411 -0.104607 -0.040493
N 4.186143 2.250325 -0.185106
C -2.208660 2.221682 -0.387767
C -2.889240 2.142393 0.998141
C -1.608152 0.903573 -0.928276
C -3.244563 0.699693 1.402315
C -1.344646 -0.195717 0.128089
C -0.270940 -3.195520 -0.921062
C -1.415488 -2.644443 -0.017271
C -4.350466 0.072337 0.542160
C 1.007280 -2.482141 -0.582746
C -0.114188 -4.696631 -0.635696
C -0.601413 -2.952686 -2.398133
C 1.517625 -1.239358 -0.848730
C 2.768464 -1.186335 -0.118911
C 3.210631 1.240141 -0.078268
C 3.724653 3.638133 0.075349
C 5.611277 1.993771 0.121630
H -1.433808 3.025029 -0.380841
H -3.777888 2.821836 1.025180
H -2.274751 0.486648 -1.734231
H -3.508459 0.648063 2.488731
H -0.283473 -0.310180 0.433914
H -2.321871 -3.272097 -0.115413
H -1.122514 -2.580165 1.042947
H -3.955361 -0.743369 -0.096686
H -4.871422 0.818826 -0.092619
H 0.141711 -4.891170 0.414105
H -1.028407 -5.252857 -0.868770
H 0.691122 -5.132767 -1.242014
H -0.837483 -1.890733 -2.575309
H -1.479475 -3.528487 -2.710920
H 0.230297 -3.226590 -3.055548
H -2.933628 2.888191 -2.130706
H -1.288539 2.064054 2.190611
H 0.320031 1.503034 -1.033180
H 1.110155 -0.448551 -1.464346
H -5.089808 -1.226133 1.862175
H 4.636677 -0.335330 0.203307
H 3.899874 3.955093 1.115596
H 4.250837 4.325569 -0.608679
H 2.638965 3.726897 -0.131639
H 6.207987 2.901966 -0.081376
H 6.008231 1.207573 -0.545680
H 5.785358 1.708666 1.172653


%chk=000186245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186245

0 1
O -2.313276 -0.146786 1.480964
O -1.841409 -1.402683 -0.521259
O -2.231179 3.380120 -0.731306
O -2.763344 2.753770 2.507338
O -0.482906 1.248430 -1.495984
O -4.592560 -1.201527 0.075082
O 1.976395 -3.138010 0.322739
O 1.881560 1.654283 -0.335870
N 3.051336 -2.177683 0.563002
N 3.555251 0.012751 -0.167445
N 4.121396 2.299433 -0.238367
C -1.927844 2.290545 0.198250
C -3.108740 2.164742 1.202934
C -1.632946 1.010250 -0.626359
C -3.550108 0.694194 1.375615
C -1.478877 -0.222843 0.287265
C -0.233604 -3.337802 -0.831714
C -1.401996 -2.716410 0.005293
C -4.571927 0.236034 0.290166
C 1.034691 -2.559821 -0.550355
C -0.082309 -4.819027 -0.389697
C -0.573662 -3.257429 -2.344375
C 1.465127 -1.292728 -0.906255
C 2.692556 -1.097994 -0.186563
C 3.117471 1.345389 -0.253451
C 3.752498 3.726959 -0.215816
C 5.553505 1.955036 -0.209599
H -1.010289 2.528744 0.783812
H -3.942588 2.786882 0.837759
H -2.459258 0.828520 -1.333003
H -3.994758 0.565085 2.376136
H -0.450478 -0.343652 0.671466
H -2.279338 -3.383993 -0.075037
H -1.129979 -2.625587 1.073888
H -4.410396 0.783464 -0.663000
H -5.580984 0.500668 0.651309
H 0.124103 -4.909547 0.690914
H -1.011678 -5.370368 -0.618967
H 0.748877 -5.303570 -0.929980
H -0.736107 -2.214552 -2.661660
H -1.501093 -3.822797 -2.549876
H 0.241363 -3.694890 -2.947597
H -1.559448 3.318535 -1.463495
H -2.091332 2.162246 2.936394
H 0.363626 1.416564 -0.968623
H 0.957462 -0.597517 -1.568895
H -3.683109 -1.454195 -0.261537
H 4.501557 -0.186847 0.162969
H 4.151611 4.218283 0.691073
H 4.149381 4.244368 -1.108868
H 2.655935 3.806264 -0.215767
H 6.138924 2.856555 -0.448842
H 5.798356 1.191234 -0.970776
H 5.884137 1.598106 0.787570


