%chk=000048955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048955

0 1
 O   -1.937500      -1.850400     -5.9799999E-02
 O   -1.031700      -1.493300      -2.145900    
 N   -3.398600       1.301100      2.9899999E-02
 C   -2.403900       2.323700      0.3584000    
 C  -0.9951000       1.802800      7.9099998E-02
 C   -3.479000      0.3035000       1.090100    
 C   5.8899999E-02   2.866700      0.3966000    
 C   -4.086300     -0.9895000      0.5553000    
 C   -4.706300       1.919400     -0.1965000    
 C    1.456900       2.354500      0.1611000    
 C   -3.239700      -1.584200     -0.5621000    
 C    2.153000       1.727200       1.194300    
 C    2.054300       2.507400      -1.090200    
 C    3.446600       1.253100      0.9766000    
 C    3.348000       2.033000      -1.307800    
 C    4.044000       1.405800     -0.2744000    
 C  -0.9199000      -1.770300     -0.9617000    
 C   0.3823000      -2.070300     -0.3148000    
 C    1.557100      -2.043700      -1.066700    
 C   0.4315000      -2.378300       1.044800    
 C    2.780700      -2.325200     -0.4590000    
 C    1.655100      -2.659700       1.652400    
 C    2.829700      -2.633100      0.9003000    
 H   -2.502900       2.662900       1.397800    
 H   -2.552600       3.207600     -0.2760000    
 H  -0.9125000       1.505200     -0.9748000    
 H  -0.7762000      0.9094000      0.6734000    
 H   -4.076600      0.6693000       1.935800    
 H   -2.498500      6.3800000E-02   1.515000    
 H  -3.7300002E-02   3.193900       1.439800    
 H  -0.1110000       3.762000     -0.2151000    
 H   -5.116200     -0.8496000      0.2119000    
 H   -4.128100      -1.705400       1.386300    
 H   -5.078000       2.440200      0.6938000    
 H   -4.647700       2.646500      -1.014800    
 H   -5.455900       1.185000     -0.5061000    
 H   -3.225900     -0.9156000      -1.430300    
 H   -3.680000      -2.536100     -0.8793000    
 H    1.697000       1.598700       2.172300    
 H    1.521100       2.992000      -1.903700    
 H    3.987700      0.7626000       1.780400    
 H    3.812800       2.150600      -2.282300    
 H    5.050400       1.034700     -0.4444000    
 H    1.540700      -1.804000      -2.126500    
 H  -0.4577000      -2.408300       1.668000    
 H    3.695600      -2.302600      -1.043800    
 H    1.694300      -2.898200       2.711300    
 H    3.782600      -2.850400       1.373800    


%chk=000048955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048955

0 1
O -1.913649 -2.011274 -0.256921
O -0.596192 -0.923110 -1.854589
N -3.507152 1.430026 0.169527
C -2.438957 2.405270 0.511311
C -1.018860 1.899084 0.181813
C -3.541852 0.226700 1.037067
C 0.043484 3.020552 0.339501
C -4.076031 -1.019759 0.292074
C -4.831962 2.073299 0.052031
C 1.456131 2.560276 0.001002
C -3.161871 -1.448465 -0.858192
C 2.470206 2.514955 0.991303
C 1.790009 2.163691 -1.321569
C 3.781380 2.088972 0.674562
C 3.098153 1.741478 -1.644648
C 4.101477 1.702428 -0.646716
C -0.691510 -1.662081 -0.842812
C 0.462867 -2.258056 -0.105619
C 1.768760 -1.817275 -0.443221
C 0.285032 -3.235430 0.908484
C 2.887597 -2.348285 0.230408
C 1.408860 -3.771468 1.571845
C 2.710939 -3.328902 1.235558
H -2.487163 2.720653 1.587192
H -2.629135 3.316977 -0.089938
H -1.014449 1.513657 -0.854071
H -0.736891 1.050319 0.835293
H -4.161345 0.401067 1.952382
H -2.517172 0.006413 1.383450
H 0.016871 3.409908 1.376428
H -0.241998 3.864200 -0.322889
H -5.080321 -0.814475 -0.128170
H -4.191821 -1.856102 1.008503
H -5.194523 2.515448 1.015224
H -4.790990 2.878971 -0.702477
H -5.585403 1.339090 -0.283964
H -2.897698 -0.590610 -1.499654
H -3.610402 -2.254963 -1.465465
H 2.230634 2.817551 2.018536
H 1.019893 2.183410 -2.102246
H 4.550317 2.063760 1.455508
H 3.336283 1.447425 -2.673590
H 5.119084 1.381497 -0.897932
H 1.885153 -1.051975 -1.217132
H -0.726907 -3.563620 1.161361
H 3.892251 -1.992895 -0.022347
H 1.272332 -4.530305 2.350235
H 3.581742 -3.743628 1.756066


