%chk=000245419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245419

0 1
O -0.138921 -1.748683 1.359402
O 4.765449 -1.146029 0.770520
O 3.847408 -0.316299 -1.124899
N -1.207741 -0.046425 0.305317
C -1.202831 1.196064 -0.503598
C -2.528716 -0.542825 0.781509
C -0.891724 2.428943 0.363421
C -3.251444 -1.334990 -0.320270
C -0.890420 3.707619 -0.481352
C -4.628977 -1.804529 0.161804
C -0.051121 -0.740191 0.671322
C -0.583437 4.943835 0.376135
C -5.361007 -2.600631 -0.928033
C 1.277064 -0.195053 0.178119
C 2.433704 -1.006590 0.757637
C -0.578636 6.221258 -0.459830
C -6.734897 -3.070532 -0.455766
C 3.700168 -0.765401 -0.011481
C 6.109368 -1.059923 0.198827
C 6.343388 -2.223663 -0.741367
H -2.196422 1.314643 -0.993099
H -0.466346 1.104738 -1.333179
H -3.141801 0.318664 1.120750
H -2.361946 -1.199036 1.672027
H -1.633306 2.510648 1.182079
H 0.088259 2.302722 0.866245
H -2.632478 -2.207718 -0.612643
H -3.354879 -0.721654 -1.234682
H -0.144969 3.625651 -1.296484
H -1.870244 3.835418 -0.981282
H -4.518021 -2.430978 1.069035
H -5.243654 -0.936378 0.467525
H 0.397314 4.821783 0.876753
H -1.329196 5.032869 1.190499
H -4.750140 -3.475119 -1.228082
H -5.470400 -1.981199 -1.839472
H 1.386041 0.877919 0.447015
H 1.312823 -0.227119 -0.935919
H 2.188939 -2.099060 0.742247
H 2.576401 -0.788836 1.839337
H 0.177330 6.183742 -1.252734
H -1.548343 6.395639 -0.939816
H -0.358288 7.098334 0.159615
H -6.658755 -3.720104 0.423999
H -7.380665 -2.227581 -0.185408
H -7.248884 -3.639805 -1.238496
H 6.726522 -1.106839 1.114687
H 6.216136 -0.080755 -0.300736
H 6.091202 -3.181410 -0.267781
H 5.722322 -2.135286 -1.645560
H 7.389567 -2.275246 -1.064457


%chk=000245419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245419

0 1
O -0.127278 -1.801120 1.201157
O 4.885350 -1.296110 0.711499
O 3.861300 -0.700832 -1.298776
N -1.109099 0.088218 0.276432
C -1.052822 1.357222 -0.482041
C -2.446021 -0.387361 0.708668
C -1.005038 2.616142 0.418050
C -3.117053 -1.320088 -0.325844
C -1.023482 3.926581 -0.400238
C -4.533774 -1.752438 0.112360
C -0.003909 -0.695406 0.576295
C -0.987761 5.192023 0.487442
C -5.212693 -2.708943 -0.894725
C 1.371336 -0.190318 0.106836
C 2.508033 -1.000524 0.752721
C -1.003626 6.500577 -0.331662
C -6.632958 -3.130008 -0.459658
C 3.778193 -0.965650 -0.074475
C 6.202060 -1.389426 0.006568
C 6.383921 -2.772314 -0.625699
H -1.951440 1.406839 -1.128542
H -0.182530 1.348905 -1.161082
H -3.083071 0.499569 0.893507
H -2.321493 -0.931401 1.661345
H -1.867980 2.599921 1.113735
H -0.094171 2.581030 1.048707
H -2.475217 -2.211552 -0.457783
H -3.172792 -0.809049 -1.309321
H -0.157481 3.943378 -1.094714
H -1.932955 3.953914 -1.036841
H -4.476841 -2.248878 1.103394
H -5.173067 -0.854117 0.248686
H -0.081093 5.163683 1.125336
H -1.854557 5.175563 1.179028
H -4.579788 -3.610461 -1.020759
H -5.258301 -2.219444 -1.889127
H 1.492024 0.886758 0.323973
H 1.447043 -0.296336 -0.994233
H 2.173262 -2.052635 0.853148
H 2.729429 -0.665269 1.779974
H -0.130563 6.555049 -1.008952
H -1.915621 6.568088 -0.954428
H -0.977057 7.388993 0.325439
H -6.610401 -3.649307 0.517027
H -7.293727 -2.248518 -0.355082
H -7.095823 -3.813836 -1.194747
H 6.936154 -1.199797 0.805930
H 6.250001 -0.591264 -0.755230
H 6.271716 -3.568451 0.130377
H 5.646543 -2.934818 -1.429527
H 7.395918 -2.852179 -1.064750


