%chk=000004273.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004273

0 1
 O    7.728000      -2.971600      0.2946000    
 O   -7.797700      -2.984700     -0.2932000    
 N   0.1308000       4.275600      4.9999999E-03
 N    2.105400       3.241700      4.3800000E-02
 N   -1.348100       2.348800     -2.8000001E-02
 N    2.307700      0.2074000      4.6100002E-02
 N  -8.4299996E-02  0.2611000     -4.1999999E-03
 N   -2.426200      0.2722000     -5.0600000E-02
 C  -0.8275000       5.354100     -1.4500000E-02
 C  -0.1429000       2.937500     -2.3000001E-03
 C    1.094400       2.314000      2.2700001E-02
 C  -0.7537000       6.208400       1.252400    
 C  -0.7029000       6.207800      -1.278100    
 C    1.493800       4.407700      3.2200001E-02
 C    1.097800      0.9227000      2.1299999E-02
 C   -1.217000       1.004300     -2.6900001E-02
 C    2.369400      -1.223900      4.6000000E-02
 C   -2.465900      -1.155600     -5.2900001E-02
 C    3.797300      -1.690100      0.1123000    
 C   -3.886700      -1.643500     -0.1170000    
 C    4.504700      -1.899000      -1.064400    
 C    4.391200      -1.905100       1.348900    
 C   -4.588300      -1.865300       1.060800    
 C   -4.479900      -1.865400      -1.352800    
 C    5.829700      -2.330700      -1.003200    
 C    5.716300      -2.336700       1.410000    
 C    6.435500      -2.549500      0.2340000    
 C   -5.906600      -2.317100       1.001700    
 C   -5.798300      -2.317100      -1.411800    
 C   -6.511700      -2.543000     -0.2345000    
 C    8.405300      -3.169600     -0.9455000    
 C   -8.469200      -3.195300      0.9480000    
 H   -1.824000       4.894800     -3.4299999E-02
 H  -0.8638000       5.588300       2.149000    
 H   -1.552400       6.957600       1.260200    
 H   0.2028000       6.736900       1.328300    
 H  -0.7770000       5.587200      -2.178000    
 H   -1.500600       6.957000      -1.318300    
 H   0.2559000       6.736200      -1.315800    
 H    1.986100       5.370700      4.2599998E-02
 H    3.163700      0.7517000      6.1099999E-02
 H    1.892700      -1.628600     -0.8560000    
 H    1.812500      -1.633500      0.8988000    
 H   -3.280800      0.8177000     -6.3400000E-02
 H   -1.907600      -1.558700     -0.9080000    
 H   -1.983600      -1.557800      0.8475000    
 H    4.041900      -1.729300      -2.032700    
 H    3.840800      -1.740500       2.271000    
 H   -4.126200      -1.690100       2.028500    
 H   -3.934100      -1.690700      -2.275700    
 H    6.330000      -2.475900      -1.954600    
 H    6.183000      -2.505100       2.376700    
 H   -6.402600      -2.471700       1.953900    
 H   -6.264500      -2.491000      -2.377800    
 H    9.420700      -3.504400     -0.7094000    
 H    7.936600      -3.963000      -1.537600    
 H    8.499500      -2.233700      -1.506400    
 H   -9.479900      -3.545000      0.7135000    
 H   -7.987200      -3.982400       1.537800    
 H   -8.576500      -2.261800       1.510800    


%chk=000004273-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004273

0 1
O 7.034724 -3.075636 0.887815
O -7.045296 -3.065885 -0.913767
N 0.095320 4.579746 -0.162590
N 1.863238 3.510856 -1.173693
N -1.175028 2.601327 0.627383
N 1.995135 0.435219 -1.192101
N -0.053066 0.485713 0.013681
N -2.084666 0.533845 1.213709
C -0.802440 5.657934 0.322130
C -0.130409 3.208089 0.001669
C 0.970003 2.569031 -0.628223
C -0.061474 6.591126 1.304725
C -1.426357 6.424314 -0.865759
C 1.305185 4.699058 -0.875163
C 0.974275 1.141211 -0.604883
C -1.061024 1.227180 0.594291
C 2.073076 -1.031350 -1.234334
C -2.169688 -0.925180 1.318602
C 3.400779 -1.569683 -0.712804
C -3.476056 -1.489955 0.766946
C 4.113754 -2.557554 -1.427315
C 3.937099 -1.111115 0.521324
C -4.201072 -2.471083 1.478622
C -3.979125 -1.062092 -0.491833
C 5.327614 -3.094852 -0.936417
C 5.142478 -1.629068 1.024106
C 5.842093 -2.626307 0.296418
C -5.394025 -3.031076 0.961771
C -5.163234 -1.602728 -1.021145
C -5.874997 -2.592593 -0.295342
C 7.794032 -4.104201 0.174864
C -7.813489 -4.090358 -0.205022
H -1.603883 5.123012 0.865515
H 0.375626 6.015678 2.138877
H -0.765378 7.332465 1.723537
H 0.751623 7.144841 0.800089
H -1.958263 5.732829 -1.541767
H -2.148539 7.174257 -0.496146
H -0.652790 6.955304 -1.450367
H 1.728753 5.663716 -1.143799
H 2.735096 0.988868 -1.629671
H 1.907424 -1.395131 -2.268953
H 1.226779 -1.393004 -0.622134
H -2.818623 1.113883 1.621781
H -1.301455 -1.315505 0.757580
H -2.047971 -1.246710 2.373875
H 3.721024 -2.919641 -2.386044
H 3.402030 -0.338332 1.085005
H -3.834617 -2.809873 2.456169
H -3.433681 -0.294570 -1.052647
H 5.853361 -3.858321 -1.517788
H 5.563383 -1.282421 1.972955
H -5.930050 -3.788222 1.542135
H -5.557487 -1.280222 -1.989835
H 8.671559 -4.304015 0.807243
H 7.201922 -5.032670 0.054629
H 8.125095 -3.745355 -0.819480
H -8.668441 -4.313681 -0.860152
H -7.214130 -5.008724 -0.048347
H -8.179927 -3.717386 0.771673


