%chk=000005375.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005375

0 1
 O   0.8753000       1.259000      -1.587600    
 O    3.924600       2.105000      -1.254900    
 O   -1.524500     -0.2006000       1.019600    
 O   -3.747600       2.617100      -1.072800    
 O   -5.357500     -0.8896000       1.553100    
 N    2.067600       1.320000      0.3951000    
 N  -0.3368000     -0.9141000     -0.8529000    
 N    3.751000       4.337200     -0.7243000    
 N   -3.743600      -1.304600     -2.4000001E-03
 N   -4.464600      0.9145000      0.3630000    
 N    3.164000      -3.588400      0.1169000    
 N    1.573400      -5.128200      0.2933000    
 C    2.320100       2.755000      0.3934000    
 C    2.780900       3.068900       1.812100    
 C    2.585000      0.6954000       1.610000    
 C    3.439500       1.768800       2.267200    
 C    1.294700      0.6987000     -0.5734000    
 C   0.9878000     -0.7564000     -0.3248000    
 C    3.401200       3.012300     -0.6126000    
 C    2.022000      -1.638700      -1.012700    
 C   -2.737900     -0.8514000     -0.9286000    
 C   -1.489800     -0.6217000     -0.1336000    
 C   -3.185900      0.3823000      -1.676500    
 C    2.043100      -3.033300     -0.4333000    
 C   -3.796000       1.424800     -0.7652000    
 C   -4.576500     -0.4532000      0.7034000    
 C    1.075000      -4.002400     -0.3132000    
 C   -5.177900       1.869800       1.202900    
 C    2.833700      -4.846000      0.5389000    
 H    1.418100       3.305300      0.1051000    
 H    3.459600       3.921900       1.899200    
 H    1.907100       3.267100       2.445300    
 H    1.733600      0.4383000       2.249700    
 H    3.151100     -0.2105000       1.377900    
 H    3.478700       1.668000       3.355300    
 H    4.465300       1.718500       1.882800    
 H   0.9337000     -0.9689000      0.7466000    
 H    3.023800      -1.201800     -0.9105000    
 H    1.826600      -1.709700      -2.090400    
 H  -0.4283000      -1.189900      -1.826700    
 H   -2.573100      -1.673700      -1.634600    
 H   -3.958200      0.1168000      -2.408800    
 H   -2.348400      0.8372000      -2.217500    
 H   -3.787700      -2.296400      0.2123000    
 H    4.477400       4.632200      -1.368300    
 H    3.293700       5.068100     -0.1888000    
 H    4.072500      -3.151600      0.1992000    
 H   4.4000000E-02  -3.950900     -0.6325000    
 H   -6.175800       2.015900      0.7777000    
 H   -4.657700       2.831800       1.222500    
 H   -5.277300       1.493800       2.225100    
 H    3.551500      -5.499300       1.014100    


%chk=000005375-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005375

0 1
O 2.075797 1.026071 -2.058345
O 4.098875 4.275331 0.483757
O -0.987201 -1.679113 0.800369
O -2.181030 2.404501 0.723602
O -4.849800 -1.331400 1.682567
N 1.854798 1.647503 0.173876
N 0.042021 -0.832568 -1.102201
N 4.050153 2.998038 -1.468217
N -3.561926 -1.321213 -0.253758
N -3.499390 0.551291 1.240631
N 1.087426 -3.619052 0.149226
N 1.950955 -5.502530 -0.766116
C 1.990226 3.112459 -0.127658
C 1.351522 3.783517 1.102403
C 1.544303 1.411321 1.623142
C 1.698111 2.812958 2.259161
C 1.837040 0.723768 -0.828166
C 1.395834 -0.720199 -0.502156
C 3.485503 3.520628 -0.327467
C 2.407873 -1.751217 -1.050558
C -2.434134 -0.786756 -1.010654
C -1.066207 -1.164733 -0.362696
C -2.584323 0.755712 -1.052087
C 2.032330 -3.191827 -0.800041
C -2.714972 1.315279 0.365101
C -4.022730 -0.755166 0.929283
C 2.550990 -4.372514 -1.345774
C -3.775049 1.095752 2.590774
C 1.069243 -5.009607 0.127246
H 1.450970 3.315162 -1.071267
H 1.773944 4.786095 1.267933
H 0.257529 3.851158 0.966139
H 0.507376 1.040792 1.728057
H 2.238220 0.670782 2.057697
H 1.033641 2.933330 3.129801
H 2.739767 2.981304 2.581301
H 1.262058 -0.867271 0.581604
H 3.386736 -1.525258 -0.578529
H 2.544489 -1.574776 -2.132959
H -0.047363 -0.478246 -2.060229
H -2.469832 -1.187739 -2.040648
H -3.495269 1.011431 -1.624929
H -1.725418 1.248665 -1.531930
H -3.849562 -2.291396 -0.389174
H 5.026243 3.210857 -1.674957
H 3.504555 2.352732 -2.058922
H 0.442741 -3.012982 0.680265
H 3.317686 -4.477412 -2.110994
H -4.108157 2.141829 2.504638
H -2.861868 1.066459 3.209204
H -4.557406 0.474085 3.048424
H 0.413187 -5.603433 0.759031


