%chk=000004970.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004970

0 1
 O   -4.528600      -1.313700      0.2002000    
 O   -5.882400      0.6430000     -0.1382000    
 O    5.772900     -0.5140000     -0.4377000    
 O    5.096400       1.792900     -0.5938000    
 O   0.1356000      0.8303000       2.035700    
 N  -0.4763000      -1.686000     -0.6414000    
 C   -1.598000      -1.424400      0.2765000    
 C   -2.372100     -0.1508000     -6.2000002E-03
 C   0.4922000      -2.634900     -6.5700002E-02
 C    1.329100      -2.057700       1.092500    
 C   -1.777400       1.122400     -0.2023000    
 C    2.281800     -0.9607000      0.6707000    
 C  -0.2825000       1.355500     -0.2965000    
 C    1.903500      0.4010000      0.5670000    
 C   -3.766800     -0.1966000      4.0000002E-03
 C   0.5295000      0.8486000      0.8757000    
 C   -4.550900      0.9194000     -0.1851000    
 C    3.600100      -1.318900      0.3313000    
 C   -2.610200       2.256400     -0.4020000    
 C  -0.9636000      -2.176400      -1.933900    
 C    2.807400       1.386700      0.1447000    
 C    4.472800     -0.3302000     -7.9099998E-02
 C    4.087200      0.9850000     -0.1688000    
 C   -4.001800       2.161800     -0.3914000    
 C   -5.860500     -0.7752000      0.1049000    
 C    6.162400      0.8363000     -0.7612000    
 H   -1.260700      -1.329300       1.313600    
 H   -2.265700      -2.296200      0.2810000    
 H    1.192800      -2.958900     -0.8472000    
 H  -2.7100001E-02  -3.537900      0.2814000    
 H    1.917800      -2.881400       1.519800    
 H   0.7089000      -1.719000       1.927800    
 H   7.4199997E-02  0.9099000      -1.232500    
 H  -7.2400004E-02   2.430600     -0.3656000    
 H    3.930600      -2.351800      0.3850000    
 H   -2.164300       3.234600     -0.5733000    
 H   -1.648200      -1.457600      -2.396800    
 H   -1.481900      -3.137600      -1.841200    
 H  -0.1307000      -2.300800      -2.635100    
 H    2.518800       2.429500      6.6399999E-02
 H   -4.620100       3.039200     -0.5428000    
 H   -6.390100     -0.9798000       1.042300    
 H   -6.386200      -1.280800     -0.7132000    
 H    6.498700      0.8643000      -1.804100    
 H    6.998400       1.125200     -0.1139000    


%chk=000004970-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004970

0 1
O -4.655377 -1.374350 0.120734
O -6.044892 0.532518 -0.288815
O 5.907109 -0.540929 -0.439421
O 5.033559 1.603419 -1.066647
O -0.027755 0.340174 1.912796
N -0.405014 -1.562773 -0.403054
C -1.688504 -1.426698 0.323741
C -2.453494 -0.150904 -0.003372
C 0.457388 -2.648216 0.134457
C 1.426355 -2.180809 1.266237
C -1.874463 1.146725 -0.220216
C 2.367396 -1.107669 0.752424
C -0.366407 1.370319 -0.270564
C 1.854617 0.177216 0.395958
C -3.853059 -0.203863 -0.034459
C 0.436730 0.549459 0.746732
C -4.675615 0.914012 -0.269195
C 3.732710 -1.423879 0.501250
C -2.715377 2.265325 -0.449595
C -0.545096 -1.594577 -1.875165
C 2.686958 1.151046 -0.234446
C 4.537339 -0.442801 -0.082400
C 4.022566 0.816801 -0.449213
C -4.132699 2.179482 -0.486521
C -6.049571 -0.868428 0.203085
C 6.288277 0.833137 -0.866162
H -1.449905 -1.408970 1.405695
H -2.350870 -2.303611 0.142071
H 1.064082 -3.047869 -0.698868
H -0.164944 -3.488100 0.518594
H 1.997831 -3.065846 1.602928
H 0.843229 -1.806594 2.123975
H 0.022641 1.157996 -1.284437
H -0.166894 2.445693 -0.078076
H 4.137652 -2.407754 0.755000
H -2.249630 3.245747 -0.599613
H -1.172806 -0.751551 -2.210076
H -1.018259 -2.535889 -2.240852
H 0.450024 -1.498424 -2.343605
H 2.302940 2.134344 -0.518716
H -4.761474 3.053924 -0.668948
H -6.373010 -0.878564 1.262131
H -6.692171 -1.476877 -0.450937
H 6.829753 0.773343 -1.822488
H 6.880731 1.307264 -0.060445


