%chk=000009341.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009341

0 1
 O    4.419200     -0.3490000       2.220600    
 O  -0.4451000      0.1571000      0.1911000    
 O   -3.454900      -1.313200       1.152500    
 O   -4.296000       1.193200      0.5722000    
 O   -1.709300      0.5474000       2.071900    
 N    4.113700      0.9410000     -0.8076000    
 C    3.258600      0.7593000      0.4069000    
 C    3.669600     -0.5805000       1.030300    
 C    5.157700     -8.8500001E-02 -0.7633000    
 C    4.545200      -1.257100     -1.2500000E-02
 C    1.846500      0.7829000     -9.7900003E-02
 C    3.214900      0.8036000      -1.975700    
 C    1.828100      0.8166000      -1.432100    
 C   0.6755000      0.7906000      0.8163000    
 C   -2.711700     -0.5899000      0.1577000    
 C   -2.156200      -1.655600     -0.8345000    
 C   -3.666000      0.4520000     -0.4799000    
 C   -1.586300      0.1025000      0.9365000    
 C   -1.265800      -2.700800     -0.1418000    
 C   -3.220100      -2.374100      -1.669500    
 C   -2.969600       1.456400      -1.395100    
 C   -5.247700       2.106100      5.3800002E-02
 H    3.429600       1.598900       1.090800    
 H    2.819300      -1.216500       1.298200    
 H    5.537500     -0.3700000      -1.751200    
 H    6.008400      0.3075000     -0.1952000    
 H    3.925500      -1.852700     -0.6933000    
 H    5.314200      -1.902900      0.4219000    
 H    3.376300     -0.1225000      -2.539600    
 H    3.369700       1.651200      -2.650700    
 H   0.9405000      0.8406000      -2.047300    
 H   0.9144000      0.2356000       1.730500    
 H   0.4228000       1.823100       1.083900    
 H    4.694800      -1.215700       2.564900    
 H   -1.511600      -1.142800      -1.561000    
 H   -4.459000     -7.4000001E-02  -1.022900    
 H  -0.7629000      -3.319700     -0.8944000    
 H   -1.857000      -3.378900      0.4830000    
 H  -0.4822000      -2.266100      0.4825000    
 H   -3.968500      -2.856300      -1.032300    
 H   -2.765400      -3.148400      -2.297300    
 H   -3.734400      -1.682000      -2.342800    
 H   -2.386800       2.189400     -0.8265000    
 H   -2.302600      0.9544000      -2.102200    
 H   -3.689200       2.016300      -2.001700    
 H   -2.843600      -1.874000       1.658000    
 H   -5.895900       2.413200      0.8805000    
 H   -4.764100       3.011700     -0.3235000    
 H   -5.881600       1.651400     -0.7145000    


%chk=000009341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000009341

0 1
O 4.538914 0.712050 2.327815
O -0.540823 -0.069508 0.072715
O -3.841993 -1.415621 0.940375
O -3.473537 1.420087 0.596745
O -1.566898 -0.546093 2.106066
N 3.986841 1.078569 -0.945802
C 3.188590 0.931526 0.323010
C 3.955507 -0.093762 1.236152
C 5.318099 0.466227 -0.687685
C 5.034560 -0.698365 0.305334
C 1.816102 0.477858 -0.155500
C 3.193427 0.511741 -2.084973
C 1.824152 0.240124 -1.491033
C 0.676313 0.370285 0.811517
C -2.864365 -0.827163 0.021059
C -2.545303 -1.901187 -1.067789
C -3.487624 0.489684 -0.552702
C -1.611526 -0.472879 0.856501
C -1.891635 -3.149954 -0.430721
C -3.823095 -2.305169 -1.841948
C -2.794487 1.118664 -1.772211
C -4.548478 2.408017 0.578431
H 3.148056 1.880721 0.894292
H 3.284801 -0.870195 1.657232
H 5.785817 0.139562 -1.632172
H 5.980627 1.213276 -0.212710
H 4.611520 -1.564438 -0.239671
H 5.929034 -1.039145 0.858038
H 3.648436 -0.421493 -2.493612
H 3.137298 1.233184 -2.925511
H 0.962757 -0.083913 -2.078932
H 0.876757 -0.353111 1.625779
H 0.451509 1.343328 1.291001
H 5.060664 0.118967 2.925356
H -1.819036 -1.445996 -1.768221
H -4.542384 0.236009 -0.792174
H -1.683674 -3.908151 -1.207539
H -2.568920 -3.592169 0.319940
H -0.933408 -2.907609 0.065362
H -4.586625 -2.683093 -1.140482
H -3.585792 -3.106851 -2.564991
H -4.261493 -1.463548 -2.408601
H -1.730207 1.313516 -1.563273
H -2.868728 0.463834 -2.658612
H -3.283771 2.076185 -2.027589
H -3.648204 -1.052864 1.846682
H -4.456539 2.974174 1.518922
H -4.460149 3.110372 -0.276549
H -5.542588 1.915117 0.540381


