%chk=000016174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016174

0 1
 O    1.084800       1.334000      0.7812000    
 O   -3.310000       2.484800      -1.389400    
 O   -1.818300       3.121000       1.781700    
 O  -0.9033000       1.162900       2.505700    
 O    4.865400       1.190500      0.8060000    
 N   -1.367700       1.281500     -0.9643000    
 N   -2.508000      -2.911800      0.2372000    
 N   -2.845600     -0.5930000      0.7929000    
 N    2.953200      0.3326000     -0.1595000    
 N   -1.199900      -1.809500       1.852100    
 N    4.938400     -0.9916000      0.1855000    
 N    5.007300      -3.226400     -0.4542000    
 C   -3.926100     -0.5132000     -0.1988000    
 C  -0.4980000       2.406200     -0.7137000    
 C   -4.615200      -1.863100     -0.3879000    
 C   0.1222000       2.379800      0.6894000    
 C   -3.366500      6.8700001E-02  -1.493700    
 C   -3.608700      -2.952400     -0.7225000    
 C    2.213100       1.562700     -6.8899997E-02
 C   0.5789000       2.374900      -1.757800    
 C   -2.710800       1.418200      -1.283400    
 C    1.830300       2.000700      -1.454800    
 C   -2.224300      -1.731400      0.9348000    
 C  -0.8956000       2.128300       1.756700    
 C   -1.705600      -4.126800      0.3299000    
 C    2.335500     -0.7737000     -0.7195000    
 C    4.287400      0.2245000      0.3046000    
 C    2.944600      -1.951200     -0.8441000    
 C    4.342300      -2.027000     -0.3451000    
 H   -4.672100      0.1870000      0.1978000    
 H   -1.068900       3.335200     -0.8272000    
 H   -5.130300      -2.130400      0.5444000    
 H   -5.380700      -1.803200      -1.169700    
 H   0.6215000       3.329200      0.9273000    
 H   -2.637000     -0.6067000      -1.956400    
 H   -4.171700      0.2019000      -2.226200    
 H   -3.214300      -2.826000      -1.736700    
 H   -4.115200      -3.924200     -0.6873000    
 H    2.829900       2.343800      0.3894000    
 H  -0.9649000      0.3504000     -0.9038000    
 H   0.3362000       2.681900      -2.770600    
 H    2.594400       2.027200      -2.227000    
 H   -1.769900      -4.550000       1.337400    
 H   -2.046200      -4.894400     -0.3735000    
 H  -0.6577000      -3.913500      9.4200000E-02
 H    1.309900     -0.6578000      -1.052800    
 H  -0.6840000      -2.662800       2.030500    
 H  -0.9353000     -0.9967000       2.398100    
 H    2.467200      -2.821100      -1.274900    
 H   -2.497600       2.972300       2.473500    
 H    4.572100      -4.047700     -0.8611000    
 H    5.962400      -3.323700     -0.1268000    


%chk=000016174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016174

0 1
O 1.680444 0.778399 0.579414
O -2.883396 2.270481 -1.577180
O -1.701742 1.167533 1.846135
O -0.274985 -0.652329 1.698878
O 5.149026 2.543407 -0.760397
N -1.124679 0.806437 -1.145133
N -4.110978 -2.879784 0.590372
N -3.448168 -0.614623 0.903110
N 3.845562 0.652581 -0.313502
N -2.298216 -2.299855 2.026723
N 6.200849 0.435951 -0.846188
N 7.192210 -1.659264 -0.927534
C -4.255796 -0.143397 -0.237529
C -0.224802 1.874339 -0.642047
C -5.529907 -1.012872 -0.309264
C 0.410277 1.499989 0.741048
C -3.406503 -0.107334 -1.552967
C -5.186930 -2.512325 -0.367096
C 2.694229 1.577216 -0.101531
C 0.844651 2.241745 -1.656195
C -2.442294 1.084813 -1.457574
C 2.173444 2.139116 -1.413818
C -3.295687 -1.933965 1.178105
C -0.570272 0.603722 1.528383
C -3.834807 -4.315774 0.765778
C 3.718001 -0.709482 -0.169518
C 5.120446 1.280775 -0.657466
C 4.808320 -1.538285 -0.369692
C 6.059541 -0.902772 -0.716504
H -4.548359 0.899423 -0.021477
H -0.892605 2.743062 -0.488153
H -6.134700 -0.803799 0.591603
H -6.137110 -0.746583 -1.191749
H 0.585566 2.439844 1.303568
H -2.885696 -1.071272 -1.706669
H -4.078929 0.075852 -2.410090
H -4.859500 -2.795619 -1.389097
H -6.086831 -3.111804 -0.133368
H 3.063535 2.399566 0.548099
H -0.812543 -0.162317 -1.038218
H 0.479291 2.636207 -2.612065
H 2.927706 2.480374 -2.128976
H -4.174337 -4.690457 1.751405
H -4.374719 -4.878587 -0.012652
H -2.756068 -4.530797 0.651836
H 2.730287 -1.065306 0.132338
H -2.270683 -3.229768 2.438005
H -1.449042 -1.632826 2.096704
H 4.715292 -2.618939 -0.246042
H -2.840367 0.098381 1.430477
H 7.186121 -2.671662 -0.845504
H 8.053458 -1.166519 -1.158087


