%chk=000096885.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096885

0 1
 O  -0.7102000      0.6578000      -1.965300    
 O   -1.809700       3.280100       1.744400    
 O   -4.328900      -3.082900      -1.107900    
 O    6.051600      -1.141800      0.5451000    
 N   -1.316700       1.951100     -0.1241000    
 N   0.9680000       1.675100     -0.7243000    
 N   -3.451600     -0.6355000     -0.2017000    
 N    3.632100     -0.3532000     -0.5059000    
 N   -3.695700      -1.675900      0.6261000    
 N    3.834600      -1.582800      1.7600000E-02
 N   -4.338000      -3.835900       1.061600    
 N    5.128700      -3.189500       1.023900    
 C  -0.3726000       1.370600      -1.015300    
 C   -2.727400       1.671200     -0.3683000    
 C    2.043500       1.145200      -1.556900    
 C   -1.003600       2.769800      0.9692000    
 C    1.324100       2.473100      0.3382000    
 C   0.4381000       3.017000       1.170400    
 C   -3.047000      0.4294000      0.4075000    
 C    2.432900     -0.1684000     -0.9496000    
 C   -4.135200      -2.874300      8.8900000E-02
 C    5.083200      -1.900100      0.5264000    
 H   -3.354600       2.485800      5.5999998E-03
 H   -2.922200       1.522200      -1.434500    
 H    1.676600      0.9589000      -2.570800    
 H    2.889000       1.839200      -1.601800    
 H    2.385000       2.648700      0.4828000    
 H   0.7459000       3.641200       2.000700    
 H   -2.929800      0.4782000       1.506100    
 H    1.656300     -0.9549000     -0.9120000    
 H   -3.549600      -1.552700       1.622900    
 H    3.064800      -2.244100      2.5500000E-02
 H   -4.660500      -4.767300      0.8213000    
 H   -4.171900      -3.642000       2.043300    
 H    4.317300      -3.797900      0.9983000    
 H    5.978000      -3.566600       1.430600    


%chk=000096885-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096885

0 1
O -0.724962 1.374446 -2.265121
O -1.861852 3.120598 1.943370
O -0.202915 -2.738900 0.481534
O 4.549343 -2.058337 1.225328
N -1.275374 2.222276 -0.148813
N 1.001216 2.106480 -0.852631
N -1.984710 -0.512322 0.130153
N 2.768454 -0.556556 -0.433051
N -2.387221 -1.834527 0.314326
N 2.468987 -1.787317 0.107938
N -2.061442 -4.077303 0.850644
N 2.728772 -3.463056 1.681422
C -0.362055 1.877218 -1.164258
C -2.671810 1.820962 -0.365934
C 1.993478 1.362085 -1.706813
C -0.944863 2.849278 1.111718
C 1.386287 2.676404 0.352460
C 0.477411 3.092098 1.295944
C -2.933220 0.345367 -0.140445
C 1.906245 -0.091372 -1.309293
C -1.460931 -2.860111 0.547289
C 3.353895 -2.398640 1.028053
H -3.285631 2.411211 0.339850
H -2.966510 2.076005 -1.401168
H 1.717386 1.520890 -2.760094
H 2.997796 1.766057 -1.503295
H 2.464600 2.767714 0.505960
H 0.798684 3.559965 2.226325
H -4.000314 0.052724 -0.239232
H 1.011308 -0.643841 -1.645193
H -3.387097 -2.076427 0.251206
H 1.500633 -2.148973 0.032312
H -1.449514 -4.883595 0.948672
H -3.054418 -4.191391 1.043519
H 1.726321 -3.635481 1.593671
H 3.288525 -3.994829 2.341648


