%chk=000183006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183006

0 1
O 3.535739 0.796617 0.874919
O -0.946728 2.832272 0.521743
O -3.463711 2.191630 -0.035393
N -0.042725 0.789262 0.029971
C 1.355544 1.310572 0.223163
C -0.262725 -0.584176 -0.376307
C -0.479433 -1.571483 0.611516
C 2.363306 0.145756 0.325656
C -0.269663 -0.923990 -1.750316
C 1.741073 2.275701 -0.897143
C -0.534821 -1.245865 2.081137
C -1.115059 1.665398 0.192441
C -0.663463 -2.902957 0.209427
C -0.457203 -2.264764 -2.115986
C -0.109973 0.110968 -2.811677
C -0.647039 -3.246762 -1.142391
C -2.526612 1.119951 -0.005000
C -1.975101 -1.245803 2.591709
C 4.656876 -0.091030 1.030798
H 1.359859 1.875163 1.201105
H 2.035312 -0.645207 1.021498
H 2.605878 -0.296534 -0.654455
H 1.106324 3.174466 -0.874114
H 1.648720 1.823349 -1.895209
H 2.783525 2.601114 -0.767673
H 0.066519 -1.984411 2.652546
H -0.064203 -0.263732 2.299197
H -0.826641 -3.673490 0.961981
H -0.459684 -2.541694 -3.169338
H 0.768572 0.760330 -2.624397
H 0.013952 -0.318570 -3.813619
H -0.984915 0.778587 -2.851328
H -0.789029 -4.285667 -1.440650
H -2.665749 0.591354 -0.967494
H -2.806600 0.438914 0.836741
H -2.597184 -0.517289 2.041819
H -2.018758 -0.975785 3.653337
H -2.448783 -2.227843 2.478717
H 4.418292 -0.898181 1.729166
H 5.424430 0.571245 1.452008
H 4.976388 -0.485339 0.061923
H -3.072106 3.003522 0.392774


%chk=000183006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183006

0 1
O 3.574272 0.863028 0.848401
O -0.982386 2.900952 0.530487
O -3.505129 2.255578 0.075320
N -0.064788 0.833170 -0.052294
C 1.318716 1.373109 0.218238
C -0.294258 -0.556562 -0.428070
C -0.502921 -1.528961 0.598217
C 2.325977 0.225840 0.426169
C -0.312918 -0.921548 -1.808108
C 1.788926 2.348687 -0.881564
C -0.527488 -1.166898 2.081815
C -1.127948 1.697175 0.128590
C -0.696298 -2.880243 0.216002
C -0.521940 -2.282473 -2.143113
C -0.113919 0.092401 -2.921164
C -0.701493 -3.258844 -1.141268
C -2.554179 1.194526 -0.181423
C -1.874907 -1.493147 2.778451
C 4.638824 -0.110309 1.079839
H 1.247531 1.942135 1.165250
H 1.979564 -0.480515 1.209347
H 2.482718 -0.346860 -0.515239
H 1.063912 3.170233 -0.998376
H 1.918729 1.833378 -1.849241
H 2.762094 2.773401 -0.583998
H 0.276391 -1.726908 2.601469
H -0.303768 -0.094772 2.217783
H -0.843327 -3.638897 0.993712
H -0.542896 -2.571847 -3.200435
H 0.949808 0.147701 -3.222787
H -0.691416 -0.195863 -3.816586
H -0.417019 1.108529 -2.621984
H -0.853168 -4.307786 -1.418807
H -2.615319 0.878310 -1.242535
H -2.796243 0.313424 0.444000
H -2.709263 -0.927207 2.327367
H -1.826741 -1.227275 3.849831
H -2.120681 -2.567769 2.706881
H 4.366446 -0.829219 1.882061
H 5.522396 0.467744 1.392077
H 4.877064 -0.680023 0.156341
H -2.960552 3.040207 0.382145


