%chk=000289268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289268

0 1
O -1.089233 0.351228 1.254724
O -1.904320 2.966893 0.541530
O 4.344262 -0.940205 1.175670
O 1.467485 -3.943425 0.142766
O 2.354184 0.092699 1.491782
N 0.504453 -1.871296 0.204279
C -1.977957 -1.894925 -0.018167
C -2.445439 -0.528976 -0.432782
C -0.632135 -2.266188 -0.666410
C -1.966174 0.622089 0.222891
C -3.371205 -0.382085 -1.479010
C -2.429930 1.905507 -0.174814
C -3.813378 0.879717 -1.867761
C -3.346813 2.030242 -1.220265
C 1.456958 -2.800885 0.574014
C 2.524006 -2.342406 1.565533
C 2.995913 -0.931658 1.404962
C -0.299983 1.449709 1.782500
C -2.325702 4.300506 0.165165
C 5.021219 0.342886 0.960434
C 4.750394 0.831806 -0.445604
H -1.899254 -1.942062 1.092263
H -2.735780 -2.660248 -0.282787
H -0.585080 -3.365172 -0.861700
H -0.515404 -1.758665 -1.651275
H -3.743417 -1.268269 -1.990234
H 0.445699 -0.932363 0.627102
H -4.529971 0.978510 -2.681717
H -3.707600 3.004299 -1.536021
H 2.134637 -2.489872 2.599469
H 3.384892 -3.055856 1.479658
H 0.200353 1.990604 0.973789
H -0.945681 2.111764 2.367602
H 0.433915 0.920715 2.406917
H -1.763928 4.918238 0.877512
H -3.403387 4.415193 0.313028
H -2.028073 4.519171 -0.864140
H 6.073605 0.046849 1.126861
H 4.682075 1.052862 1.734861
H 4.955612 0.050702 -1.190606
H 3.698184 1.127988 -0.571648
H 5.370097 1.701076 -0.695771


%chk=000289268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289268

0 1
O -0.420669 0.326057 1.094877
O -0.701808 2.885625 0.058998
O 3.767324 -0.499394 0.596869
O 1.516289 -4.258312 -0.150004
O 2.261072 -0.576425 2.379208
N 0.435044 -2.272227 0.383636
C -2.042063 -1.888833 0.258929
C -2.191010 -0.496046 -0.343622
C -0.825656 -2.706297 -0.249041
C -1.410796 0.592113 0.121486
C -3.118934 -0.263935 -1.392562
C -1.551540 1.890032 -0.454894
C -3.269808 1.018569 -1.955769
C -2.491037 2.102044 -1.490180
C 1.521750 -3.106197 0.387173
C 2.805245 -2.628899 1.122340
C 2.891149 -1.156360 1.458483
C -0.515406 1.032211 2.396484
C -0.777908 4.217468 -0.548457
C 3.898643 0.984354 0.758252
C 2.889566 1.706381 -0.138761
H -1.982149 -1.828414 1.362178
H -2.951293 -2.467299 0.013110
H -0.966886 -3.777970 -0.016909
H -0.748754 -2.629734 -1.352119
H -3.729816 -1.097726 -1.756368
H 0.438481 -1.336241 0.821582
H -3.994909 1.183471 -2.759769
H -2.611938 3.091339 -1.941019
H 2.854763 -3.208671 2.061829
H 3.654450 -2.924776 0.488489
H -0.460206 2.121534 2.240235
H -1.461387 0.760845 2.902025
H 0.352531 0.667927 2.963662
H -0.020756 4.815461 -0.020445
H -1.778333 4.669377 -0.404249
H -0.538504 4.178707 -1.628441
H 4.940241 1.185045 0.459832
H 3.749959 1.235793 1.823274
H 3.011465 1.395699 -1.191066
H 1.852423 1.502033 0.175408
H 3.059273 2.798372 -0.080083


