%chk=000216593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216593

0 1
O 0.231319 1.527040 -1.700940
O 3.914554 -2.666159 -0.987500
O 4.687122 1.669457 1.266990
O 5.764661 -0.915569 0.490216
N -7.047013 -0.348509 0.161983
N -0.547096 -0.011716 -0.158570
C -5.084592 -1.284057 1.307707
C -6.453028 -0.614828 1.510782
C -4.188214 -0.448567 0.440247
C -6.237223 0.654073 -0.607992
C -4.747688 0.458177 -0.479988
C -2.799287 -0.590381 0.533183
C -3.897719 1.214258 -1.299660
C -8.455910 0.129789 0.294420
C -1.960985 0.178250 -0.298098
C -2.512098 1.085084 -1.217887
C 0.456886 0.673032 -0.870134
C 1.845637 0.232168 -0.477176
C 2.641166 1.106662 0.267155
C 2.304332 -1.022316 -0.867878
C 3.624365 -1.406689 -0.544306
C 3.946176 0.715218 0.598397
C 4.466389 -0.528691 0.173103
C 5.220937 -3.228590 -0.693973
C 5.370757 1.216758 2.468884
C 6.770972 -0.174353 -0.263523
H -5.227418 -2.272566 0.813771
H -4.620119 -1.491922 2.290088
H -7.128699 -1.304364 2.060524
H -6.342911 0.299865 2.131455
H -6.480007 1.706481 -0.330934
H -6.532661 0.522787 -1.677423
H -2.378194 -1.295211 1.244604
H -4.319766 1.917509 -2.018408
H -8.879191 0.283793 -0.711482
H -8.582344 1.058451 0.869774
H -9.055641 -0.661090 0.773586
H -1.864589 1.684399 -1.865820
H -0.259428 -0.715178 0.527348
H 2.278739 2.086544 0.578046
H 1.682753 -1.709954 -1.441487
H 5.982140 -2.711654 -1.283956
H 5.090260 -4.268027 -1.017619
H 5.440194 -3.157577 0.377378
H 4.624755 1.055820 3.252349
H 6.014492 2.072804 2.699981
H 5.954213 0.307933 2.282598
H 6.664791 -0.384947 -1.330578
H 7.704825 -0.578594 0.138711
H 6.675787 0.899059 -0.064448


%chk=000216593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216593

0 1
O 0.330587 2.274337 -0.431411
O 3.674698 -2.798691 -0.245365
O 5.318644 1.847422 0.292196
O 5.900317 -0.975815 0.071660
N -7.049825 -0.357544 -0.197067
N -0.547615 0.147568 0.032885
C -5.126092 -1.752136 0.464503
C -6.552078 -1.300309 0.830236
C -4.218001 -0.563033 0.181980
C -6.287188 0.909555 -0.188419
C -4.779415 0.696970 -0.156548
C -2.813564 -0.700673 0.236435
C -3.909977 1.779442 -0.430509
C -8.501548 -0.120645 -0.117283
C -1.949562 0.388839 -0.043499
C -2.508857 1.650403 -0.381948
C 0.502093 1.039976 -0.180819
C 1.887729 0.449288 -0.075975
C 2.957630 1.361740 0.087705
C 2.164424 -0.939527 -0.139396
C 3.492382 -1.416538 -0.065202
C 4.280569 0.895792 0.176940
C 4.571325 -0.496190 0.064479
C 4.514119 -3.507551 0.747298
C 6.130884 1.744473 1.527578
C 6.695068 -0.564626 -1.116050
H -5.186731 -2.388864 -0.439818
H -4.704624 -2.374772 1.277581
H -7.228642 -2.174196 0.858002
H -6.557158 -0.840934 1.853711
H -6.573037 1.545282 0.695462
H -6.562618 1.488913 -1.091149
H -2.385919 -1.678934 0.499814
H -4.338082 2.755552 -0.691932
H -8.819072 0.527323 -0.954498
H -8.819993 0.372770 0.837165
H -9.041767 -1.079973 -0.204541
H -1.848270 2.492099 -0.593109
H -0.289349 -0.802805 0.305124
H 2.749663 2.433952 0.137028
H 1.390813 -1.696594 -0.309363
H 5.531995 -3.086438 0.774014
H 4.531206 -4.554058 0.407369
H 4.048859 -3.445673 1.750146
H 5.497045 1.938229 2.413353
H 6.896771 2.529446 1.437180
H 6.603183 0.749176 1.610526
H 6.249184 -0.994205 -2.031392
H 7.700825 -0.980199 -0.952162
H 6.735372 0.536276 -1.189413


