%chk=000287406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287406

0 1
O 0.747462 1.490248 -1.112622
O 2.769410 -1.230747 -1.060889
O 0.723448 -1.674780 0.721153
O 5.404191 2.209078 0.503495
O -1.702677 -1.484479 -1.757987
O 3.711297 -2.835227 0.237157
O -0.419634 -0.996695 2.551211
O -5.987739 -1.401075 0.188345
N 3.140382 1.992862 0.651047
N -1.154730 0.349358 -0.474881
N -3.471636 -0.409809 -0.694297
N -5.201571 0.774258 0.423135
C 3.076920 1.035106 -0.466972
C 2.605405 -0.341738 0.077300
C 1.108338 -0.310439 0.443353
C 2.122735 1.501960 -1.602042
C 0.278644 0.162563 -0.781103
C 2.335521 2.932772 -2.053406
C 4.369675 2.553595 1.043932
C -1.571339 1.422691 0.295388
C -2.144504 -0.614440 -1.048707
C 3.281368 -2.508347 -0.838308
C -0.103939 -1.902997 1.819216
C -2.901953 1.590276 0.587682
C 4.278182 3.548101 2.163378
C -3.840676 0.612801 0.092442
C 3.194056 -3.262878 -2.114176
C -0.451604 -3.342370 1.848651
C -6.232156 -0.231922 0.302597
C -7.608816 0.363577 0.397327
H 4.114770 0.903745 -0.899568
H 3.226481 -0.704765 0.930083
H 0.931415 0.323976 1.344479
H 2.192331 0.779037 -2.450203
H 0.396368 -0.537746 -1.652136
H 2.252757 2.352601 0.986021
H 1.752165 3.149917 -2.959292
H 3.392171 3.133592 -2.273193
H 2.008398 3.653710 -1.292719
H -0.804781 2.125826 0.651292
H -3.232375 2.421623 1.199213
H 3.830046 3.119083 3.070466
H 5.290116 3.891369 2.441050
H 3.701803 4.440827 1.889745
H 3.162976 -2.603405 -2.996522
H 4.045557 -3.952297 -2.226377
H 2.270605 -3.868582 -2.141504
H -1.351514 -3.538571 1.234686
H -0.671128 -3.680203 2.873684
H 0.351081 -3.978058 1.437214
H -5.464682 1.695410 0.783053
H -7.790205 1.131985 -0.366961
H -7.814587 0.803922 1.381521
H -8.365526 -0.424996 0.238751


%chk=000287406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287406

0 1
O 0.651148 1.654713 -1.136838
O 2.712508 -1.221535 -1.144641
O 0.591982 -1.589260 0.695231
O 5.305696 1.784524 0.901157
O -1.755440 -0.992405 -2.309608
O 3.296468 -2.907136 0.372369
O 0.778879 -1.096571 2.970782
O -6.380006 -0.945922 -1.053703
N 3.045876 2.118001 0.491365
N -1.249189 0.391110 -0.470057
N -3.552422 -0.206188 -1.017836
N -5.313311 0.663937 0.322970
C 2.991678 1.126369 -0.589626
C 2.532580 -0.251145 -0.033456
C 1.040193 -0.223290 0.371156
C 2.031984 1.582703 -1.714280
C 0.172521 0.295592 -0.792347
C 2.338313 2.952574 -2.311903
C 4.226544 2.390924 1.173984
C -1.688150 1.185326 0.565339
C -2.202623 -0.325700 -1.342441
C 3.069546 -2.544682 -0.799524
C 0.571572 -1.934587 2.067625
C -3.032613 1.300702 0.850829
C 4.128411 3.448718 2.266480
C -3.945604 0.549697 0.010718
C 3.116286 -3.400231 -2.042352
C 0.299754 -3.406792 2.223235
C -6.442340 -0.021897 -0.215380
C -7.761713 0.518369 0.345510
H 4.019238 1.003628 -0.977244
H 3.157872 -0.560248 0.821946
H 0.938402 0.414817 1.270487
H 2.034169 0.803142 -2.502090
H 0.246842 -0.377706 -1.667093
H 2.188246 2.630538 0.706391
H 1.606983 3.189736 -3.101998
H 3.349683 2.955540 -2.755944
H 2.296227 3.747049 -1.547468
H -0.925554 1.720363 1.136972
H -3.371753 1.925448 1.680092
H 3.146345 3.950942 2.308366
H 4.327218 2.976912 3.244681
H 4.913476 4.206430 2.104772
H 3.683416 -2.895562 -2.841778
H 3.573388 -4.372148 -1.807941
H 2.088897 -3.560224 -2.416259
H -0.484919 -3.736902 1.523533
H 0.014461 -3.631335 3.261062
H 1.225966 -3.956263 1.971899
H -5.529536 1.339717 1.059787
H -8.020304 1.473795 -0.148356
H -7.720854 0.693902 1.436458
H -8.558134 -0.208188 0.129170


