%chk=000054018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054018

0 1
 O   -1.120600     -0.9288000      0.3028000    
 O  -0.1033000      -2.056400      -1.429500    
 N   -4.799800     -0.8513000      6.2600002E-02
 C    1.239900      -1.038900      0.3450000    
 C    1.682700      0.3723000     -0.1093000    
 C   0.9441000       1.526400      0.5898000    
 C    2.296100      -2.121500      0.1905000    
 C   -3.477100     -0.6033000      0.6166000    
 C  -4.5000002E-02  -1.415800     -0.3880000    
 C   -2.401500      -1.211000     -0.2694000    
 C    1.466500       2.905400      0.2791000    
 C   -5.827900     -0.7240000       1.098400    
 C   -5.079500      6.8599999E-02  -1.042700    
 C    2.369900      -3.161000       1.117700    
 C    3.190900      -2.075700     -0.8786000    
 C    2.470600       3.465200       1.069300    
 C   0.9464000       3.622000     -0.7988000    
 C   -5.873800      0.6888000       1.655500    
 C   -6.429700     -0.2262000      -1.674000    
 C    3.338800      -4.154500      0.9761000    
 C    4.159600      -3.069400      -1.020100    
 C    4.233500      -4.108800     -9.2900001E-02
 C    2.954300       4.741500      0.7819000    
 C    1.430400       4.898300      -1.086300    
 C    2.434400       5.458000     -0.2959000    
 H    1.010100     -0.9906000       1.418900    
 H    2.753200      0.4994000      0.1030000    
 H    1.568600      0.4809000      -1.196100    
 H   0.9823000       1.376300       1.677000    
 H  -0.1218000       1.491900      0.3326000    
 H   -3.371500      -1.065600       1.607800    
 H   -3.263600      0.4639000      0.7620000    
 H   -2.533800      -2.297900     -0.3355000    
 H   -2.420000     -0.7871000      -1.278400    
 H   -5.606900      -1.424300       1.914500    
 H   -6.815500      -1.031400      0.7390000    
 H   -4.341500     -8.6900003E-02  -1.837700    
 H   -5.001300       1.128000     -0.7740000    
 H    1.677300      -3.210700       1.953700    
 H    3.146900      -1.287100      -1.623900    
 H    2.885400       2.915900       1.910300    
 H   0.1656000       3.195600      -1.422900    
 H   -4.922500       1.026000       2.076100    
 H   -6.227500       1.429100      0.9326000    
 H   -6.593800      0.7122000       2.482800    
 H   -6.554200      -1.294100      -1.884700    
 H   -7.266500      0.1128000      -1.056100    
 H   -6.510800      0.3044000      -2.629500    
 H    3.395700      -4.964400       1.697600    
 H    4.854200      -3.036100      -1.854500    
 H    4.987000      -4.883000     -0.2039000    
 H    3.736500       5.177100       1.396800    
 H    1.026100       5.456100      -1.925900    
 H    2.811400       6.451600     -0.5201000    


%chk=000054018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054018

0 1
O -1.295577 -0.677676 0.348800
O -0.171050 -0.171531 -1.626396
N -4.999286 -1.063335 -0.076836
C 1.084392 -0.327918 0.510423
C 2.010610 0.851011 0.100952
C 1.352450 2.241768 0.312766
C 1.818320 -1.675021 0.436431
C -3.686730 -1.013939 0.609756
C -0.155032 -0.367985 -0.387853
C -2.568317 -0.827423 -0.424786
C 2.271144 3.377804 -0.112652
C -5.936363 -2.079549 0.463562
C -5.579670 0.283435 -0.313096
C 2.090314 -2.403611 1.620576
C 2.260196 -2.195446 -0.807798
C 3.053085 4.084446 0.836543
C 2.391364 3.728971 -1.483115
C -6.499503 -1.808413 1.886095
C -6.723700 0.283767 -1.343602
C 2.798431 -3.626013 1.568129
C 2.964820 -3.417881 -0.861212
C 3.239036 -4.136910 0.325973
C 3.933254 5.113874 0.430507
C 3.268327 4.757262 -1.893807
C 4.044290 5.453734 -0.937365
H 0.732483 -0.177793 1.547426
H 2.944191 0.786401 0.690905
H 2.289051 0.736979 -0.962976
H 1.077757 2.352747 1.380276
H 0.413774 2.281055 -0.273402
H -3.517437 -1.964438 1.147277
H -3.621434 -0.199560 1.368488
H -2.482901 -1.702739 -1.090969
H -2.714301 0.072602 -1.047818
H -5.406509 -3.051233 0.460328
H -6.776280 -2.186517 -0.247185
H -4.766455 0.929490 -0.694852
H -5.933126 0.758905 0.636777
H 1.745453 -2.013417 2.586026
H 2.038252 -1.649248 -1.732133
H 2.968446 3.828629 1.900429
H 1.788684 3.194530 -2.228506
H -5.687106 -1.725079 2.631507
H -7.091787 -0.875852 1.919952
H -7.160914 -2.638174 2.198009
H -6.393954 -0.199197 -2.280354
H -7.617752 -0.250337 -0.974755
H -7.028659 1.321665 -1.571050
H 3.003027 -4.177823 2.492651
H 3.298580 -3.811003 -1.828240
H 3.787122 -5.084812 0.282779
H 4.527360 5.651528 1.178550
H 3.345046 5.017929 -2.955726
H 4.723586 6.253245 -1.254108


