%chk=000099458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099458

0 1
 O   -5.737600     -0.8375000      0.2835000    
 O    6.900400      -1.858900      0.2804000    
 O   -6.384300       1.213100       1.128400    
 N    5.679100      -1.317300     -0.1273000    
 C  -1.9999999E-04 -0.3934000      0.2086000    
 C   0.5686000      0.9198000     -0.4100000    
 C    2.000500       1.117800      8.7899998E-02
 C    2.934900     -4.6900000E-02 -0.3120000    
 C   -1.465000     -0.6844000     -0.3089000    
 C   0.9735000      -1.602300      9.0400003E-02
 C    2.438400      -1.281300      0.4503000    
 C  -0.3206000       2.110500     -2.5800001E-02
 C   -2.314300      0.5949000     -0.2830000    
 C    2.777600       2.385700     -0.2679000    
 C   -2.112300      -1.746700      0.6285000    
 C    4.239400      0.5848000      9.4800003E-02
 C   -1.783600       1.822400     -0.1416000    
 C    3.009900     -0.3325000      -1.829600    
 C   -1.453200      -1.220900      -1.760600    
 C    4.169800       1.925200      7.5999998E-02
 C   -3.810900      0.4316000     -0.4169000    
 C   -3.615100      -1.933100      0.4248000    
 C   -4.358800     -0.6088000      0.5562000    
 C    5.461400     -0.1368000      0.4032000    
 C    6.458800      0.5201000       1.347200    
 C   -6.551300      0.2556000      0.3851000    
 C   -7.704900      0.1194000     -0.5619000    
 H  -7.9999998E-02 -0.2003000       1.291300    
 H   0.5701000      0.8456000      -1.503100    
 H    1.927900       1.131600       1.192400    
 H   0.9563000      -2.009500     -0.9244000    
 H   0.6345000      -2.411600      0.7472000    
 H    2.513900      -1.119800       1.533600    
 H    3.059600      -2.156600      0.2267000    
 H  -7.6200001E-02   2.962400     -0.6718000    
 H  -0.1200000       2.427000       1.005300    
 H    2.471100       3.230000      0.3564000    
 H    2.698500       2.662600      -1.323300    
 H   -1.948100      -1.460500       1.676500    
 H   -1.625200      -2.720100      0.4953000    
 H   -2.438100       2.690100     -0.1085000    
 H    3.702800      -1.155500      -2.039300    
 H    2.044500     -0.6174000      -2.256300    
 H    3.359100      0.5362000      -2.399900    
 H  -0.9098000     -0.5533000      -2.437000    
 H  -0.9909000      -2.211200      -1.822700    
 H   -2.462300      -1.331900      -2.171600    
 H    4.981000       2.613500      0.2632000    
 H   -4.310100       1.396500     -0.2718000    
 H   -4.056300      0.1426000      -1.447000    
 H   -3.819600      -2.387500     -0.5525000    
 H   -4.003500      -2.646300       1.162500    
 H   -4.257400     -0.2530000       1.590700    
 H    6.815300     -0.2079000       2.082200    
 H    7.308100      0.8941000      0.7683000    
 H    6.014500       1.345000       1.909500    
 H    6.903300      -2.709500     -0.1899000    
 H   -8.288000     -0.7700000     -0.3103000    
 H   -7.335500      6.0600001E-02  -1.588700    
 H   -8.351900      0.9970000     -0.4740000    


%chk=000099458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099458

0 1
O -5.825260 -0.769668 -0.087671
O 6.786410 -2.172053 0.649152
O -6.529565 1.092039 1.136658
N 5.498588 -1.523450 0.357304
C -0.008615 -0.310038 0.156534
C 0.617984 0.995095 -0.437190
C 2.035421 1.152668 0.134651
C 2.987475 -0.046606 -0.195912
C -1.446073 -0.596121 -0.426777
C 0.942829 -1.543039 0.064593
C 2.403835 -1.282806 0.531847
C -0.267598 2.209666 -0.074365
C -2.285790 0.698062 -0.427310
C 2.889206 2.413990 -0.158406
C -2.158944 -1.639330 0.504044
C 4.336540 0.545947 0.280278
C -1.744579 1.933598 -0.248752
C 3.132980 -0.323220 -1.725401
C -1.375285 -1.153833 -1.882868
C 4.270371 1.918904 0.249634
C -3.787646 0.542579 -0.654034
C -3.662655 -1.841350 0.205640
C -4.398257 -0.502739 0.300657
C 5.563152 -0.213561 0.573686
C 6.802571 0.508983 1.066611
C -6.792472 0.117493 0.394190
C -8.163889 -0.266100 -0.121306
H -0.153096 -0.096026 1.241510
H 0.664093 0.914579 -1.542429
H 1.924156 1.133822 1.243754
H 0.970888 -1.915957 -0.975897
H 0.527272 -2.368712 0.673963
H 2.422019 -1.099559 1.625658
H 3.021935 -2.178092 0.344009
H 0.021051 3.086807 -0.688668
H -0.069986 2.507989 0.980040
H 2.564794 3.306383 0.408134
H 2.871928 2.693775 -1.234855
H -2.044937 -1.303895 1.555873
H -1.645073 -2.615263 0.421857
H -2.415978 2.805199 -0.229944
H 3.885921 -1.115670 -1.882515
H 2.187057 -0.656204 -2.185787
H 3.471131 0.579882 -2.265615
H -0.725536 -0.523404 -2.516142
H -0.981509 -2.186157 -1.900787
H -2.371675 -1.174701 -2.356928
H 5.109250 2.594540 0.447388
H -4.293482 1.514706 -0.519741
H -3.992401 0.201886 -1.690145
H -3.808761 -2.262598 -0.807177
H -4.098422 -2.562358 0.922079
H -4.397840 -0.111900 1.336335
H 7.525869 -0.204235 1.488238
H 7.295088 1.042389 0.231703
H 6.532535 1.255814 1.832410
H 6.575948 -3.124934 0.475787
H -8.299602 -1.359295 -0.094236
H -8.266646 0.056364 -1.173531
H -8.938926 0.232715 0.478969


