%chk=000181838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181838

0 1
O -0.050422 2.450330 0.850545
O -0.300874 -2.167069 0.619789
O -2.382115 0.441698 -1.186275
O -4.944041 -0.155688 -0.949102
N -0.488040 0.150751 0.868852
N -4.181862 0.119205 0.204563
C 1.627705 0.788118 0.133024
C 1.553351 -0.632822 0.068280
C 0.318668 1.329961 0.628208
C 0.191347 -1.076024 0.514084
C -1.913130 0.207227 1.203312
C 2.774238 1.460276 -0.230466
C 2.625566 -1.385212 -0.359426
C 3.877090 0.689453 -0.671407
C 3.804754 -0.696775 -0.733980
C -2.771952 0.211742 -0.064997
H -2.119800 1.143766 1.786261
H -2.168396 -0.660311 1.858519
H 2.834982 2.548730 -0.185073
H 2.572566 -2.473684 -0.412470
H 4.794043 1.202654 -0.966864
H 4.664906 -1.273822 -1.078340
H -4.520713 -0.565199 0.885367
H -4.752772 0.618394 -1.584704


%chk=000181838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181838

0 1
O 0.229805 2.755476 0.832005
O -0.809252 -1.822650 0.448012
O -3.907526 1.526349 -0.231285
O -4.279846 -0.902860 -1.283101
N -0.626484 0.531898 0.719545
N -3.241769 -0.663756 -0.321427
C 1.625688 0.802046 0.161732
C 1.313072 -0.577065 0.067926
C 0.397575 1.539060 0.593922
C -0.126444 -0.759423 0.419479
C -1.987621 0.832118 1.190955
C 2.912215 1.281667 -0.122666
C 2.275482 -1.522907 -0.314160
C 3.894819 0.332177 -0.508980
C 3.581631 -1.047450 -0.602939
C -3.098758 0.608711 0.150998
H -2.005573 1.904960 1.443644
H -2.198058 0.239386 2.100164
H 3.142406 2.348896 -0.048413
H 2.022264 -2.585157 -0.384587
H 4.911173 0.668466 -0.739212
H 4.360939 -1.755307 -0.904002
H -2.628635 -1.469488 -0.134765
H -4.712004 0.010551 -1.335143


