%chk=000051719.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051719

0 1
 O   -3.225800      0.9844000      -1.736300    
 O    3.084000       1.844600       1.078800    
 N   0.5092000      0.6491000      0.5394000    
 C   -4.234900     -0.1819000      7.6200001E-02
 C   -4.953400      -1.034200     -0.9722000    
 C   -5.203100      0.7674000      0.7855000    
 C   -6.144500      -1.778300     -0.3745000    
 C   -6.393500      1.8900000E-02   1.379300    
 C   -7.107500     -0.8267000      0.3291000    
 C   -3.132100      0.6023000     -0.5708000    
 C   -1.915800      0.8842000      0.2944000    
 C  -0.6303000      0.3321000     -0.3127000    
 C    1.745700      0.1367000     -3.4100000E-02
 C    2.922100      0.4321000      0.9236000    
 C    1.931000      0.7809000      -1.409300    
 C    4.250500     -0.1093000      0.4402000    
 C    4.630900      -1.389100      0.8048000    
 C    5.055000      0.6871000     -0.3558000    
 C    5.854800      -1.888200      0.3593000    
 C    6.278900      0.1878000     -0.8013000    
 C    6.678700      -1.099900     -0.4437000    
 H   -3.791400     -0.8681000      0.8092000    
 H   -4.254600      -1.754900      -1.414600    
 H   -5.314800     -0.4067000      -1.797600    
 H   -5.566600       1.527300      8.1000000E-02
 H   -4.681200       1.312000       1.581800    
 H   -6.674600      -2.321500      -1.164900    
 H   -5.784100      -2.527700      0.3410000    
 H   -6.047000     -0.6279000       2.194700    
 H   -7.097900      0.7350000       1.817300    
 H   -7.576600     -0.1682000     -0.4123000    
 H   -7.912700      -1.400000      0.8022000    
 H   -2.070900      0.4617000       1.294000    
 H   -1.855500       1.972300      0.4195000    
 H  -0.7278000     -0.7519000     -0.4500000    
 H  -0.5517000      0.7890000      -1.302800    
 H    1.675000     -0.9519000     -0.1612000    
 H   0.3659000      0.2496000       1.466400    
 H    2.715100      2.7500000E-02   1.922800    
 H    1.215500      0.4095000      -2.149600    
 H    1.857600       1.873700      -1.369900    
 H    2.901800      0.5314000      -1.845200    
 H    2.231200       2.201800       1.380300    
 H    3.994200      -2.010400       1.427900    
 H    4.769100       1.690300     -0.6570000    
 H    6.165900      -2.891000      0.6371000    
 H    6.920100      0.8007000      -1.428100    
 H    7.631500      -1.488700     -0.7911000    


%chk=000051719-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051719

0 1
O -3.012108 -0.333861 -1.998059
O 2.456234 1.633849 1.022604
N 0.561023 -0.170363 0.327657
C -4.495938 -0.562085 -0.063866
C -5.639812 -0.750007 -1.086379
C -4.807279 0.620460 0.909378
C -7.002715 -0.944552 -0.383028
C -6.173613 0.418290 1.606369
C -7.314290 0.225742 0.580103
C -3.132266 -0.379261 -0.743213
C -1.906186 -0.232560 0.168962
C -0.579668 -0.531877 -0.550848
C 1.945964 -0.450823 -0.172756
C 2.882753 0.243968 0.880889
C 2.152447 0.095737 -1.596005
C 4.358924 0.176738 0.523788
C 5.047676 -1.059632 0.611588
C 5.059116 1.328939 0.094018
C 6.412445 -1.147792 0.257538
C 6.426081 1.242413 -0.255874
C 7.106652 0.005022 -0.179706
H -4.418133 -1.479248 0.565018
H -5.413177 -1.607555 -1.746328
H -5.677830 0.140228 -1.744073
H -4.826983 1.564801 0.327656
H -4.010050 0.721569 1.670254
H -7.804116 -1.039909 -1.140674
H -6.991687 -1.895417 0.190311
H -6.118840 -0.475348 2.262521
H -6.388105 1.284607 2.261755
H -7.436893 1.158800 -0.007766
H -8.272596 0.048311 1.105266
H -2.035455 -0.867782 1.069122
H -1.874638 0.814878 0.536785
H -0.557879 -1.602045 -0.864839
H -0.538533 0.069790 -1.472273
H 2.173271 -1.543169 -0.176355
H 0.441529 -0.596955 1.261642
H 2.729384 -0.292897 1.849393
H 1.508004 -0.421978 -2.327036
H 1.937038 1.178320 -1.635240
H 3.200534 -0.056559 -1.903707
H 1.461948 1.585838 0.878567
H 4.520813 -1.955786 0.965165
H 4.519459 2.279516 0.056541
H 6.934843 -2.108728 0.329093
H 6.961191 2.141331 -0.583364
H 8.166863 -0.060057 -0.449795


