%chk=000148222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148222

0 1
 O   -6.650200      8.8600002E-02 -8.4700003E-02
 O    4.798700     -0.2047000     -0.2928000    
 N   -2.485700     -0.2632000     -5.8600001E-02
 N    4.574800       3.428900     -0.6124000    
 C   -3.112800     -0.1924000       1.274200    
 C   -4.635500     -0.4130000       1.126700    
 C   -4.565200      0.2294000      -1.298700    
 C   -5.277700      0.4531000      4.1800000E-02
 C   -3.064000      0.5011000      -1.161400    
 C   -2.816000       1.169800       1.925600    
 C   -2.573000      -1.308200       2.192900    
 C   -5.165100       1.100700      -2.405000    
 C   -1.050200     -0.5176000     -0.1577000    
 C   0.1288000     -0.7264000     -0.2386000    
 C    4.103200      -1.431900     -0.5112000    
 C    1.476700     -0.9654000     -0.3311000    
 C    2.656300      -1.175100     -0.4121000    
 C    4.455800      -1.944900      -1.907100    
 C    4.538600      -2.430800      0.5605000    
 C    4.510900      0.3300000      0.9897000    
 C    5.270600       1.635000       1.181700    
 C    4.880800       2.637000      0.1785000    
 H   -5.145000     -0.2382000       2.083600    
 H   -4.836500      -1.467000      0.8851000    
 H   -4.710200     -0.8180000      -1.598700    
 H   -5.242800       1.512100      0.3214000    
 H   -2.570400      0.2286000      -2.103400    
 H   -2.877300       1.570900      -1.004800    
 H   -3.177500       2.006400       1.319400    
 H   -3.289800       1.245700       2.910800    
 H   -1.738700       1.317300       2.063700    
 H   -2.678400      -2.294100       1.725100    
 H   -1.512900      -1.167200       2.431500    
 H   -3.116000      -1.329500       3.145100    
 H   -6.223300      0.8682000      -2.561700    
 H   -5.084500       2.165000      -2.159000    
 H   -4.645700      0.9328000      -3.354400    
 H   -7.074400      0.2422000      0.7766000    
 H    3.937200      -2.880700      -2.142900    
 H    5.535200      -2.112500      -1.997500    
 H    4.190800      -1.207100      -2.674100    
 H    4.086100      -2.242500       1.540800    
 H    4.232600      -3.448600      0.2879000    
 H    5.627400      -2.430700      0.6872000    
 H    3.444000      0.5371000       1.124400    
 H    4.850100     -0.3339000       1.790000    
 H    6.347100       1.448300       1.088800    
 H    5.088200       2.025800       2.188600    


%chk=000148222-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148222

0 1
O -6.645381 -0.248972 -0.371944
O 4.942798 -0.336991 -0.187260
N -2.426795 -0.069231 0.075397
N 4.525676 3.425248 -0.700504
C -3.179953 -0.104970 1.389681
C -4.647257 -0.517829 1.073203
C -4.485619 0.229941 -1.347753
C -5.313493 0.300576 -0.052353
C -3.042191 0.693545 -1.049093
C -3.106014 1.290776 2.071885
C -2.542936 -1.166123 2.312178
C -5.102909 1.071629 -2.482674
C -1.117299 -0.350161 0.021476
C 0.095735 -0.628397 -0.082521
C 4.060109 -1.531143 -0.466189
C 1.422481 -0.926140 -0.194226
C 2.633709 -1.197550 -0.307386
C 4.390193 -1.856006 -1.940506
C 4.461963 -2.698759 0.474394
C 4.714991 0.335649 1.089528
C 5.510424 1.656081 1.034338
C 4.966496 2.626712 0.068247
H -5.239622 -0.428508 2.006808
H -4.661741 -1.581519 0.766927
H -4.455894 -0.834506 -1.655135
H -5.417349 1.365544 0.257074
H -2.406702 0.543294 -1.937717
H -3.038619 1.782776 -0.823010
H -3.554041 2.086347 1.450951
H -3.642928 1.274403 3.038007
H -2.052699 1.559937 2.266730
H -2.514759 -2.152419 1.816876
H -1.511419 -0.889476 2.590027
H -3.139029 -1.254762 3.237892
H -6.140381 0.750540 -2.669981
H -5.119128 2.147104 -2.218773
H -4.526050 0.960537 -3.419270
H -7.203640 -0.240494 0.446569
H 3.832320 -2.747670 -2.272744
H 5.473586 -2.044471 -2.037966
H 4.121843 -1.001852 -2.582626
H 4.226958 -2.471405 1.528756
H 3.914439 -3.616038 0.196516
H 5.546284 -2.885136 0.378977
H 3.634331 0.528731 1.243793
H 5.097207 -0.270881 1.938252
H 6.557731 1.429758 0.760683
H 5.519673 2.122680 2.038165


