%chk=000187668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187668

0 1
O -1.058206 1.419125 1.399885
O -1.038097 -0.175316 -2.781934
O 1.509334 3.427017 -1.984421
O 1.871104 4.317739 0.038146
N -2.254804 -0.620726 -1.032109
N -0.095525 1.567831 -0.666753
N -1.610973 -1.007452 -2.116604
C -2.434566 0.768994 -0.504677
C -3.598119 0.660402 0.498029
C -3.698117 -0.823205 0.897873
C -2.968682 -1.632941 -0.186245
C -1.145191 1.252126 0.197994
C 1.226179 1.935553 -0.128810
C 2.335493 0.969828 -0.589570
C 2.088044 -0.425670 -0.085441
C 1.564758 3.351828 -0.613149
C 2.419760 -0.768058 1.234231
C 1.521886 -1.388555 -0.933641
C 2.189636 -2.066245 1.696946
C 1.294973 -2.685371 -0.464876
C 1.628838 -3.027290 0.849216
H -2.680949 1.463731 -1.348901
H -4.537862 1.014627 0.039463
H -3.416426 1.296742 1.389898
H -3.223720 -0.982911 1.886349
H -4.749809 -1.140358 0.999886
H -3.669786 -2.219722 -0.817025
H -2.230066 -2.341540 0.248141
H 1.174507 1.962400 1.004094
H -0.131585 1.341313 -1.670891
H 2.412449 0.980611 -1.699842
H 3.320934 1.337449 -0.230539
H 2.852195 -0.024502 1.901088
H 1.252705 -1.129004 -1.958521
H 2.447612 -2.328884 2.721847
H 0.857919 -3.429899 -1.128954
H 1.455297 -4.038162 1.211338
H 1.708160 4.339695 -2.328521


%chk=000187668-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187668

0 1
O -1.129208 1.601156 1.370010
O -1.136695 0.105648 -2.947823
O 0.671952 3.954522 -1.409758
O 2.761793 3.807683 -0.412653
N -2.269404 -0.550013 -1.132389
N -0.078369 1.475098 -0.714750
N -1.697599 -0.890616 -2.308007
C -2.445007 0.839040 -0.590083
C -3.623693 0.660514 0.387240
C -3.453558 -0.791935 0.914416
C -2.953816 -1.593129 -0.312660
C -1.154898 1.343894 0.128406
C 1.238162 1.878294 -0.235991
C 2.352725 0.860919 -0.656388
C 2.112360 -0.521586 -0.070995
C 1.653876 3.289516 -0.673278
C 2.432825 -0.792647 1.284515
C 1.539537 -1.555443 -0.854138
C 2.188805 -2.065569 1.845128
C 1.294071 -2.831875 -0.296920
C 1.617127 -3.091092 1.055070
H -2.652671 1.509512 -1.445521
H -4.581781 0.779616 -0.149293
H -3.562982 1.398761 1.201517
H -2.692813 -0.801202 1.713163
H -4.390101 -1.208318 1.319279
H -3.783091 -2.027268 -0.900110
H -2.240802 -2.393444 -0.055294
H 1.180176 1.904762 0.870110
H -0.229814 1.236807 -1.710922
H 2.387936 0.811848 -1.761255
H 3.316193 1.278984 -0.313733
H 2.880994 -0.004221 1.902764
H 1.288380 -1.365422 -1.904665
H 2.447392 -2.259482 2.892235
H 0.859155 -3.621454 -0.920509
H 1.433449 -4.081568 1.486792
H 1.008695 4.860909 -1.650512


