%chk=000003693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003693

0 1
 O   -1.063100      -2.112300     -0.2084000    
 O   -3.252700       1.406400      -1.433400    
 O   -4.254800      -3.060400       1.731500    
 O   2.8400000E-02   1.686200      0.4592000    
 O   -4.735400      -2.197400     -0.3228000    
 O    1.162600       2.196900      -1.481500    
 N   -2.688400     -0.4520000     -3.0700000E-02
 N   -4.287400       1.036800      0.6446000    
 N   0.3981000     -0.6417000      -1.872600    
 C   -3.280200     -0.9915000       1.187300    
 C   -4.104900      0.1435000       1.767000    
 C   -1.033000     -0.3888000      -1.850100    
 C    1.043400     -0.1066000     -0.6800000    
 C   -1.580900      -1.075700     -0.6272000    
 C   -3.392700      0.7525000     -0.4078000    
 C    2.559500     -0.3600000     -0.6921000    
 C   -1.701600     -0.9350000      -3.096500    
 C   -4.166200      -2.123500      0.7560000    
 C    3.319100      0.1474000      0.5419000    
 C   -5.153100       2.193200      0.7224000    
 C   0.7761000       1.389100     -0.6469000    
 C    4.792300     -0.1733000      0.5232000    
 C    5.238100      -1.362700       1.079900    
 C    5.677700      0.7269000     -5.0500002E-02
 C  -0.3119000       3.066700      0.6221000    
 C    6.601200      -1.659100       1.062100    
 C    7.040700      0.4306000     -6.8000004E-02
 C    7.502600     -0.7626000      0.4879000    
 C   -1.133700       3.226400       1.883300    
 H   -2.500400      -1.359700       1.862000    
 H   -5.075400     -0.1687000       2.164600    
 H   -3.547300      0.6859000       2.537700    
 H   -1.197200      0.6862000      -1.839600    
 H   0.6739000     -0.5588000      0.2464000    
 H   0.5838000      -1.641100      -1.952600    
 H    2.732900      -1.440800     -0.7891000    
 H    3.002700      9.6900001E-02  -1.588200    
 H   -1.299600     -0.4614000      -3.998900    
 H   -2.782300     -0.7582000      -3.077900    
 H   -1.556800      -2.017800      -3.191100    
 H    3.193600       1.233200      0.6413000    
 H    2.869500     -0.2797000       1.448000    
 H   -4.782000       2.857300       1.507700    
 H   -6.165800       1.861700      0.9651000    
 H   -5.158100       2.728000     -0.2306000    
 H   -4.831700      -3.809100       1.469000    
 H    4.543800      -2.068200       1.527400    
 H    5.327600       1.657500     -0.4883000    
 H  -0.8938000       3.402800     -0.2433000    
 H   0.6047000       3.662000      0.6989000    
 H    6.960500      -2.588300       1.494600    
 H    7.742400       1.128400     -0.5155000    
 H    8.563700     -0.9935000      0.4737000    
 H  -0.5724000       2.875800       2.755600    
 H   -2.044500       2.624000       1.830000    
 H   -1.411700       4.272400       2.038900    


%chk=000003693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003693

0 1
O -0.972290 -1.840231 -0.012012
O -3.533862 1.597833 -0.689472
O -3.815764 -3.790123 1.505417
O 0.153594 2.570162 0.135903
O -4.075546 -2.905698 -0.634178
O 2.234255 2.735739 -0.898180
N -2.804173 -0.489770 0.283998
N -4.726426 0.459965 1.004668
N 0.419599 0.072596 -1.575069
C -3.343181 -1.458436 1.257675
C -4.573165 -0.711818 1.876365
C -1.041509 0.168165 -1.451938
C 1.240617 0.493548 -0.407068
C -1.581848 -0.782483 -0.353594
C -3.680350 0.635926 0.108733
C 2.648446 -0.124393 -0.514146
C -1.709633 -0.206260 -2.797810
C -3.762974 -2.760724 0.561528
C 3.538845 0.159876 0.725196
C -5.817498 1.419086 1.140464
C 1.312974 2.031390 -0.428594
C 4.914826 -0.477264 0.594011
C 5.204915 -1.726631 1.199521
C 5.928904 0.153827 -0.173448
C -0.001832 4.057884 0.059231
C 6.473332 -2.331994 1.044507
C 7.197993 -0.446401 -0.330767
C 7.475072 -1.693345 0.277914
C -1.390193 4.381933 0.602553
H -2.588690 -1.716715 2.015830
H -5.482919 -1.339297 1.871538
H -4.367402 -0.413107 2.922497
H -1.323226 1.200841 -1.196482
H 0.780066 0.182608 0.559576
H 0.710367 -0.858873 -1.901739
H 2.538459 -1.220570 -0.633935
H 3.143202 0.267394 -1.421660
H -1.303129 0.449968 -3.585344
H -2.801796 -0.066735 -2.748736
H -1.498958 -1.258155 -3.066756
H 3.643690 1.255255 0.838683
H 3.029152 -0.222846 1.631251
H -5.816104 1.892800 2.141380
H -6.796696 0.930708 0.978916
H -5.677045 2.201144 0.376649
H -4.098208 -4.637209 1.065879
H 4.432189 -2.225741 1.797994
H 5.719065 1.122676 -0.644062
H 0.123911 4.362293 -0.995478
H 0.810162 4.519307 0.650277
H 6.680671 -3.296621 1.522308
H 7.970386 0.057040 -0.923699
H 8.459922 -2.159229 0.158597
H -1.478540 4.081821 1.661497
H -2.169049 3.855438 0.024426
H -1.572705 5.470248 0.534885


