%chk=000005421.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005421

1 1
 O  -0.5536000       2.375100      6.4099997E-02
 O    1.286100      -2.750200      -2.919400    
 O  -0.2521000      -1.169200      -2.370900    
 N    4.088400       3.370900      7.4100003E-02
 N   -5.264200       1.575300      4.3200001E-02
 N    1.380600      -5.880800      0.9154000    
 C   8.6700000E-02 -0.4063000      0.3141000    
 C    1.083100      0.5192000      0.2542000    
 C   -1.314000      8.3800003E-02  0.2460000    
 C   0.7664000       1.951900      0.1263000    
 C   -1.561100       1.451000      0.1240000    
 C   0.4229000      -1.829100      0.4414000    
 C    2.503800      0.1443000      0.3128000    
 C   -2.417300     -0.7841000      0.2997000    
 C    1.732900       2.880700      6.7000002E-02
 C   -2.865700       1.950200      5.6499999E-02
 C    3.159200       2.486300      0.1292000    
 C   -3.947600       1.077000      0.1109000    
 C   0.6102000      -2.626900     -0.6811000    
 C    3.489000       1.050000      0.2554000    
 C   -3.723300     -0.2905000      0.2327000    
 C   0.5498000      -2.360800       1.719400    
 C   0.9290000      -3.975800     -0.5237000    
 C   0.8688000      -3.709500       1.876900    
 C    1.058300      -4.517200      0.7554000    
 C    3.776500       4.817800     -5.2700002E-02
 C    5.524000       2.993900      0.1342000    
 C   0.4849000      -2.098700      -2.034700    
 C   -6.396100      0.6710000      9.9500000E-02
 C   -5.505600       3.000600     -6.9700003E-02
 H    2.792400     -0.8971000      0.4047000    
 H   -2.285800      -1.859200      0.3939000    
 H    1.445100       3.921500     -2.7000001E-02
 H   -2.990200       3.025000     -3.8400002E-02
 H    4.513500      0.7017000      0.3037000    
 H   -4.529200      -1.016500      0.2798000    
 H   0.4046000      -1.745600       2.604000    
 H    1.066900      -4.626100      -1.384700    
 H   0.9667000      -4.119600       2.878900    
 H    3.235500       4.984700     -0.9887000    
 H    3.196900       5.134900      0.8190000    
 H    4.703000       5.397800     -8.1000000E-02
 H    6.147800       3.889700      7.2400004E-02
 H    5.758700       2.349400     -0.7178000    
 H    5.722400       2.499400       1.089500    
 H   -7.348200       1.209000      3.0400001E-02
 H   -6.378400     -3.7799999E-02 -0.7359000    
 H   -6.416500      0.1215000       1.047200    
 H   -5.102700       3.539900      0.7948000    
 H   -6.576800       3.228200     -0.1070000    
 H   -5.069800       3.404000     -0.9905000    
 H    1.473600      -6.273400       1.842700    
 H    1.517500      -6.467600      0.1032000    
 H    1.197100      -2.389100      -3.827100    


%chk=000005421-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005421

1 1
O -0.522483 2.374621 0.089304
O 1.261593 -3.061020 -3.030368
O 0.415838 -0.996386 -2.400363
N 4.156498 3.522400 0.038778
N -5.274888 1.590150 0.114959
N 1.295056 -6.008520 0.991830
C 0.053670 -0.430934 0.248696
C 1.110329 0.529618 0.216749
C -1.295281 0.036119 0.239758
C 0.807228 1.933145 0.124367
C -1.569979 1.446734 0.151639
C 0.351319 -1.891189 0.388769
C 2.504229 0.190562 0.262389
C -2.443193 -0.825900 0.275652
C 1.781539 2.928052 0.068007
C -2.857815 1.977657 0.112711
C 3.165890 2.565049 0.101466
C -3.987216 1.098763 0.155561
C 0.748383 -2.724902 -0.702930
C 3.496952 1.158119 0.208248
C -3.736924 -0.326613 0.237441
C 0.266253 -2.487883 1.672908
C 1.057022 -4.087856 -0.500437
C 0.576576 -3.842661 1.883928
C 0.985468 -4.672409 0.796233
C 3.801634 4.951673 -0.067571
C 5.582981 3.137383 0.072443
C 0.780692 -2.155672 -2.080553
C -6.434872 0.674619 0.149593
C -5.512058 3.044958 0.027258
H 2.781405 -0.864665 0.347270
H -2.279999 -1.906469 0.328095
H 1.454822 3.966550 -0.004153
H -2.967111 3.060886 0.042192
H 4.542873 0.846587 0.248676
H -4.575421 -1.025680 0.263013
H -0.035739 -1.871803 2.526912
H 1.343652 -4.691879 -1.366440
H 0.505197 -4.263062 2.893570
H 3.217746 5.152515 -0.985788
H 3.210768 5.285168 0.806647
H 4.719783 5.554927 -0.108198
H 6.203306 4.042332 0.001588
H 5.843785 2.478546 -0.776739
H 5.840882 2.620743 1.015893
H -7.361778 1.264315 0.106767
H -6.430559 -0.016189 -0.714134
H -6.452468 0.079163 1.081492
H -5.084953 3.574389 0.899965
H -6.593971 3.238793 0.006819
H -5.070400 3.469340 -0.894328
H 1.238957 -6.431069 1.914718
H 1.584563 -6.598959 0.216429
H 1.244319 -2.637555 -3.930430


