%chk=000004574.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004574

0 1
 O   0.6616000     -0.9778000     -0.7591000    
 O   -4.436200       2.146500      0.4630000    
 O    2.656800     -0.1738000     -9.1300003E-02
 O   -6.532100       1.904700     -0.3702000    
 O   0.7506000      0.6521000      0.9073000    
 N   -6.831600     -0.3609000       1.149100    
 C   -4.962800     -0.9777000     -0.3145000    
 C   -5.478400      1.1400000E-02  0.7424000    
 C   -3.456100     -0.9777000     -0.4334000    
 C   -2.847600     -0.1135000      -1.328000    
 C   -2.714600      -1.842100      0.3548000    
 C   -1.457000     -0.1137000      -1.437800    
 C   -1.324100      -1.842200      0.2451000    
 C  -0.6952000     -0.9779000     -0.6513000    
 C   -5.561100       1.429900      0.2051000    
 C    4.905500      0.4686000      0.3913000    
 C    3.459000      0.6842000      0.7267000    
 C    5.635400     -0.4950000       1.078500    
 C    5.503100       1.234000     -0.6040000    
 C    1.310900     -8.5000001E-02  0.1060000    
 C    6.980000     -0.6956000      0.7667000    
 C    6.847700       1.033100     -0.9159000    
 C    7.586200      6.8300001E-02 -0.2305000    
 H   -5.407000     -0.7649000      -1.296700    
 H   -5.279700      -2.000800     -6.7500003E-02
 H   -4.851900      1.1100000E-02   1.641700    
 H   -3.431400      0.5614000      -1.947000    
 H   -3.195200      -2.516800       1.057400    
 H  -0.9736000      0.5613000      -2.138900    
 H  -0.7366000      -2.518000      0.8608000    
 H   -7.433600     -0.4283000      0.3287000    
 H   -6.819600      -1.293300       1.561400    
 H    3.278100      0.4614000       1.785800    
 H    3.180600       1.730700      0.5499000    
 H    5.172700      -1.097200       1.855500    
 H    4.936800       1.986600      -1.145600    
 H    7.555000      -1.447200       1.299800    
 H    7.319700       1.627400      -1.692700    
 H   -4.502100       3.064800      0.1245000    
 H    8.633100     -8.8100001E-02 -0.4736000    


%chk=000004574-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004574

0 1
O 0.657328 -0.453028 0.063771
O -4.949714 0.730140 2.284723
O 2.744487 0.235528 0.273696
O -6.008338 1.774404 0.501922
O 1.141930 1.832638 -0.353430
N -7.320041 -0.846055 0.373678
C -5.040110 -0.877973 -0.789710
C -5.869061 -0.687928 0.538373
C -3.539352 -0.732414 -0.607470
C -2.893382 0.510193 -0.825583
C -2.749041 -1.829112 -0.172341
C -1.504963 0.678991 -0.621260
C -1.364319 -1.688446 0.039654
C -0.755016 -0.435162 -0.184690
C -5.637542 0.724282 1.075036
C 5.144145 0.636983 0.145562
C 3.799040 1.312847 0.231235
C 6.070271 0.743872 1.211357
C 5.505211 -0.096975 -1.013371
C 1.470132 0.667043 -0.040049
C 7.342024 0.132794 1.121363
C 6.770338 -0.715141 -1.102096
C 7.693816 -0.598758 -0.035388
H -5.420735 -0.139171 -1.519943
H -5.290447 -1.886639 -1.170831
H -5.511496 -1.407138 1.294092
H -3.482882 1.369821 -1.166594
H -3.218745 -2.805839 -0.004279
H -1.024964 1.642506 -0.796113
H -0.744385 -2.526628 0.370492
H -7.757883 -0.134501 -0.218236
H -7.637633 -1.799207 0.187400
H 3.696269 1.917232 1.149484
H 3.582016 1.955037 -0.641318
H 5.796237 1.302705 2.114549
H 4.788830 -0.192093 -1.837787
H 8.051765 0.223560 1.950919
H 7.039156 -1.283626 -1.999235
H -4.805512 1.670753 2.582062
H 8.677864 -1.075497 -0.106144


