%chk=000196872.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196872

0 1
O 1.522961 1.211829 0.293523
O 2.702690 -1.458414 -2.034975
O 0.966017 -1.888411 1.049753
O 2.607617 1.410655 -1.738591
O 3.877076 1.689910 1.681804
O -5.212984 0.575258 2.449136
O -5.498736 -0.650920 0.600799
N -0.710965 -0.043364 -1.549336
C 0.758590 -0.039932 -1.728082
C 1.531888 -1.285331 -1.233854
C 1.990872 -1.274135 0.244050
C 2.213131 0.098835 0.897362
C 1.331043 1.249481 -1.110422
C 3.706269 0.474963 0.948261
C -1.178210 -0.156222 -0.133546
C -2.708240 -0.029877 -0.121436
C -3.232870 0.004983 1.316826
C -4.727394 -0.094686 1.344804
H 0.938469 0.025382 -2.846918
H 0.948757 -2.216425 -1.431836
H 2.919790 -1.893545 0.319053
H 1.756586 0.108302 1.924220
H 0.698090 2.155062 -1.242587
H -1.123575 -0.794124 -2.116376
H 4.131947 0.607605 -0.064493
H 4.310747 -0.256074 1.518136
H -0.714427 0.666266 0.460167
H -0.856413 -1.103876 0.359070
H 3.180536 -0.591356 -2.143884
H 1.051615 -2.864382 1.025988
H -3.177338 -0.870435 -0.674584
H -3.016224 0.888890 -0.663975
H 3.082895 2.194203 -1.394679
H -2.896753 0.928236 1.840795
H -2.810220 -0.834782 1.914523
H 3.185584 2.341626 1.414880
H -6.202523 0.527804 2.525326


%chk=000196872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196872

0 1
O 1.493430 1.127621 0.479061
O 2.951065 -1.175837 -1.999511
O 1.141001 -1.921305 1.200823
O 2.529140 1.497725 -1.675912
O 4.045555 1.988882 0.473710
O -5.504799 0.419682 2.506031
O -5.711485 0.087275 0.219012
N -0.693608 -0.288600 -1.344868
C 0.743603 -0.122939 -1.570048
C 1.737047 -1.276066 -1.169754
C 2.163821 -1.310161 0.331932
C 2.445419 0.081455 0.932655
C 1.277112 1.198145 -0.973365
C 3.930190 0.532787 0.706148
C -1.315420 -0.390905 -0.012289
C -2.794043 0.045239 -0.082919
C -3.479112 -0.062315 1.293306
C -4.978218 0.149644 1.230118
H 0.866238 -0.019340 -2.666357
H 1.278789 -2.252490 -1.424000
H 3.096587 -1.913947 0.369601
H 2.230565 0.022553 2.013617
H 0.541998 2.013469 -1.086073
H -1.151140 -0.860766 -2.059780
H 4.362776 0.073112 -0.194789
H 4.539912 0.245047 1.583595
H -0.755220 0.259039 0.681285
H -1.257622 -1.416477 0.421654
H 3.097688 -0.191158 -2.148590
H 0.912128 -2.816357 0.842363
H -3.345260 -0.582002 -0.810912
H -2.848816 1.082480 -0.460967
H 3.137693 2.010928 -1.046945
H -3.052936 0.652408 2.020725
H -3.310657 -1.069662 1.728776
H 3.515634 2.471957 1.158593
H -6.492759 0.523877 2.432976


