%chk=000213187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213187

0 1
O 1.745523 -0.131025 0.501346
O -1.011985 1.858506 0.502096
O 0.332621 -1.046615 -1.058197
O -1.891119 -0.117940 1.264588
O -0.021403 -3.750867 -0.396230
O 0.971895 -4.329620 1.466312
O -3.937266 -0.875126 -0.516471
O -4.119872 0.455323 -2.245303
N 1.240337 -2.286665 0.750315
N -2.658836 0.963824 -0.707557
N 0.659483 -3.569433 0.573864
N -3.661478 0.078836 -1.187627
C 1.680643 1.189799 -0.178365
C 1.328881 2.191579 0.939342
C 3.060518 1.384438 -0.842539
C -0.020188 1.844880 1.587047
C 2.389153 2.256059 2.038487
C 3.282283 0.318115 -1.919097
C 3.160797 2.787639 -1.447562
C 1.012269 -1.145166 -0.070509
C -1.864547 0.769004 0.454441
H 0.861976 1.155194 -0.936758
H 1.236444 3.198725 0.451308
H 3.851219 1.263256 -0.059351
H -0.012301 0.857287 2.087268
H -0.371529 2.624511 2.284618
H 2.597811 1.258515 2.450257
H 3.339157 2.650916 1.656780
H 2.083882 2.903833 2.868366
H 2.488264 0.320706 -2.676529
H 3.317974 -0.688785 -1.487141
H 4.230807 0.476020 -2.445569
H 2.371875 2.973552 -2.186094
H 4.117842 2.918180 -1.969566
H 3.103407 3.573775 -0.687426
H 1.833060 -2.166731 1.598474
H -2.447499 1.785299 -1.312419


%chk=000213187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213187

0 1
O 1.718463 -0.131821 0.465491
O -1.026362 1.809678 0.452837
O 0.214404 -0.922749 -1.178421
O -1.778963 -0.237668 1.363642
O -0.328680 -3.652772 -0.657610
O 0.628857 -4.383216 1.299319
O -3.943663 -1.174339 -0.210072
O -4.297404 0.117970 -2.076971
N 1.055256 -2.260202 0.606121
N -2.714592 0.774454 -0.582924
N 0.387812 -3.514134 0.380939
N -3.717559 -0.181175 -0.967576
C 1.769349 1.234638 -0.181542
C 1.374316 2.260602 0.909306
C 3.172968 1.412199 -0.807897
C 0.001952 1.936338 1.528250
C 2.406274 2.380634 2.056731
C 3.443833 0.325400 -1.875704
C 3.310268 2.825208 -1.430237
C 0.908270 -1.089005 -0.159960
C -1.840050 0.663419 0.510323
H 1.004288 1.236726 -0.981118
H 1.291453 3.238290 0.394985
H 3.927858 1.303648 -0.004039
H 0.026071 0.995936 2.105088
H -0.334325 2.762047 2.178763
H 2.597335 1.396626 2.520351
H 3.367944 2.779853 1.692312
H 2.042042 3.066800 2.843175
H 2.696170 0.370837 -2.689225
H 3.416250 -0.689590 -1.442583
H 4.443873 0.470368 -2.322545
H 2.519553 3.006515 -2.183294
H 4.284271 2.915169 -1.943234
H 3.257339 3.629094 -0.674463
H 1.602114 -2.255980 1.471431
H -2.606886 1.530001 -1.265052


