%chk=000063427.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063427

0 1
 O    3.038900      0.3335000      -1.520300    
 O   -1.894500      -2.954900      0.1848000    
 O   -6.264600       1.564100     -0.2034000    
 N    1.253500     -0.3098000     -0.1363000    
 N   -1.178300     -0.7263000      0.1282000    
 N    3.566700       2.457000     -0.1268000    
 C  -3.8199998E-02  0.1505000      0.3859000    
 C    1.487300      -1.718700     -4.0899999E-02
 C   0.4069000      -2.596100      0.1415000    
 C    2.206800       1.974700     -4.0899999E-02
 C    2.216800      0.5841000     -0.6356000    
 C  -0.9988000      -2.114100      0.1467000    
 C   -2.492800     -0.1351000      4.2700000E-02
 C    4.483800       1.587400      0.6208000    
 C    3.670800       3.834500      0.3716000    
 C    2.782800      -2.265000     -7.5900003E-02
 C   0.6274000      -3.979700      0.2652000    
 C    2.995300      -3.640500      4.8300002E-02
 C    1.917900      -4.498200      0.2170000    
 C   -3.512000     -0.8093000     -0.6227000    
 C   -2.730800       1.106000      0.6254000    
 C    5.914000       2.092400      0.5320000    
 C    2.792900       4.777500     -0.4336000    
 C   -4.781300     -0.2370000     -0.7062000    
 C   -4.000100       1.678400      0.5421000    
 C   -5.025600       1.006700     -0.1238000    
 C   -6.444700       2.837700      0.4141000    
 H  -0.2327000       1.127800     -6.6100001E-02
 H   6.9200002E-02  0.2663000       1.471600    
 H    1.512900       2.554300     -0.6576000    
 H    1.844700       1.957800      0.9930000    
 H    4.509500      0.5630000      0.2425000    
 H    4.193200       1.522100       1.677800    
 H    4.686900       4.221500      0.2491000    
 H    3.413200       3.903900       1.435900    
 H    3.661100      -1.634800     -0.1773000    
 H  -0.1978000      -4.675300      0.3967000    
 H    4.006400      -4.036500      1.9300001E-02
 H    2.080400      -5.567200      0.3140000    
 H   -3.357300      -1.750200      -1.139600    
 H   -1.969700       1.649300       1.177300    
 H    6.598500       1.309900      0.8798000    
 H    6.095500       2.961700       1.171600    
 H    6.198100       2.335000     -0.4977000    
 H    3.046300       5.815300     -0.1888000    
 H    1.729600       4.653800     -0.2066000    
 H    2.943000       4.649800      -1.511100    
 H   -5.573400     -0.7588000      -1.236500    
 H   -4.122700       2.643300       1.022100    
 H   -7.487100       3.131000      0.2518000    
 H   -6.292700       2.784600       1.497500    
 H   -5.819900       3.604900     -5.5700000E-02


%chk=000063427-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063427

0 1
O 3.542816 -0.191984 -0.309876
O -1.863886 -2.789989 -0.855033
O -5.254588 2.622095 -0.507174
N 1.490346 -0.874644 0.568941
N -0.928113 -0.964533 0.302865
N 3.079493 2.543138 0.172624
C 0.189271 -0.586001 1.199965
C 1.630219 -2.265472 0.233863
C 0.425660 -2.972535 -0.067375
C 2.078370 1.570205 0.610140
C 2.450018 0.113432 0.236694
C -0.888092 -2.267102 -0.236732
C -2.045045 -0.072511 0.132250
C 4.349084 2.494482 0.948365
C 2.525984 3.913707 0.019988
C 2.872777 -2.944278 0.216387
C 0.481091 -4.359511 -0.347845
C 2.903511 -4.326728 -0.062534
C 1.711744 -5.041792 -0.336939
C -2.726499 0.007845 -1.114061
C -2.464337 0.760553 1.196752
C 5.561752 2.961166 0.121954
C 1.628695 4.075601 -1.222564
C -3.786995 0.910003 -1.282879
C -3.523316 1.681602 1.028612
C -4.189349 1.756745 -0.217879
C -5.726128 3.497277 0.568109
H 0.102025 0.479471 1.437319
H 0.130801 -1.167283 2.142641
H 1.117292 1.817727 0.121747
H 1.889848 1.610357 1.719367
H 4.521791 1.445734 1.242080
H 4.268058 3.096107 1.889976
H 3.385063 4.600389 -0.079572
H 1.968966 4.239607 0.937016
H 3.793850 -2.394309 0.409871
H -0.456616 -4.865366 -0.599189
H 3.866893 -4.848448 -0.063301
H 1.749341 -6.114596 -0.551845
H -2.431401 -0.647330 -1.935812
H -1.991852 0.681302 2.182574
H 6.487053 2.894392 0.724489
H 5.459319 4.008221 -0.217692
H 5.666928 2.316986 -0.766782
H 1.309495 5.129072 -1.329796
H 0.711795 3.459916 -1.168314
H 2.184242 3.777788 -2.128179
H -4.319419 0.979488 -2.236021
H -3.822920 2.309807 1.872435
H -6.551083 4.075468 0.127058
H -6.100877 2.910457 1.429462
H -4.927776 4.186572 0.906746


