%chk=000127014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127014

0 1
 O  -0.2423000      -1.027800     -0.4042000    
 O  -0.3017000      -4.616900     -0.7662000    
 O    1.203700      0.5116000      -2.179900    
 O    4.315700     -0.3494000      0.8109000    
 O    1.886400     -7.5900003E-02   2.142700    
 N   -3.915400       1.809200     -0.7041000    
 N    2.470500      -2.221300     -0.2344000    
 C   -2.118900      0.4918000     -0.6074000    
 C   -3.129600     -4.6200000E-02  0.2512000    
 C   -2.638600       1.648600      -1.188700    
 C   -4.237600      0.7976000      0.1696000    
 C  -0.8060000      9.9299997E-02 -0.9432000    
 C   0.2792000      -3.370000     -0.3740000    
 C  -0.4325000      -2.242800      -1.119000    
 C    1.781300      -3.431500     -0.6613000    
 C   -1.912100       2.434800      -2.090300    
 C  -6.7199998E-02  0.8752000      -1.843400    
 C   -3.203000      -1.176400       1.092100    
 C   -5.417400      0.5691000      0.8871000    
 C  -0.6141000       2.025400      -2.407100    
 C    3.904300      -2.328900     -0.4673000    
 C   -4.376100      -1.418400       1.815700    
 C   -5.465800     -0.5570000       1.713400    
 C    4.555100     -0.9549000     -0.4528000    
 C    3.645900      0.8462000      0.8062000    
 C    2.428400      0.9797000       1.473900    
 C    4.191000       1.935100      0.1257000    
 C    1.756500       2.202000       1.461300    
 C    3.519100       3.157300      0.1133000    
 C    2.301900       3.290800      0.7810000    
 C   0.6393000      0.1438000       2.799200    
 H   0.1140000      -3.259600      0.7052000    
 H   -4.533200       2.568500     -0.9557000    
 H   -1.504800      -2.463100      -1.189400    
 H  -5.2299999E-02  -2.153700      -2.144500    
 H    1.932600      -3.602400      -1.735200    
 H    2.202600      -4.306600     -0.1494000    
 H   -2.337400       3.331000      -2.529600    
 H   -2.363600      -1.857800       1.193100    
 H   -6.266700       1.239600      0.8079000    
 H  -3.4699999E-02   2.625000      -3.105500    
 H    2.289900      -2.035900      0.7514000    
 H    4.115100      -2.791500      -1.439000    
 H    4.347700      -2.961500      0.3109000    
 H   -4.435200      -2.287400       2.465600    
 H   -6.367800     -0.7623000       2.284200    
 H    5.638400      -1.054200     -0.5808000    
 H    4.173300     -0.3546000      -1.289300    
 H   0.1266000      -5.317100     -0.2447000    
 H    1.568100       1.165400      -2.800800    
 H    5.142900       1.847600     -0.3913000    
 H   0.8084000       2.379000       1.957200    
 H    3.944300       4.005600     -0.4151000    
 H    1.779100       4.242900      0.7700000    
 H   0.3474000     -0.8049000       3.261400    
 H  -0.1539000      0.4092000       2.093600    
 H   0.7358000      0.8767000       3.607500    


%chk=000127014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127014

0 1
O -1.154352 -0.858005 0.454216
O -0.641758 -3.789934 0.667698
O 0.590944 1.230983 -0.242478
O 4.985213 -0.671506 0.171772
O 3.079978 0.136935 1.885306
N -4.961436 1.599535 -0.859965
N 2.713805 -2.285147 -0.195253
C -3.031420 0.481371 -0.291369
C -4.159483 -0.404126 -0.039753
C -3.559785 1.717844 -0.799896
C -5.345328 0.325194 -0.406114
C -1.636263 0.326767 -0.127485
C 0.379102 -2.731418 0.547035
C -0.192152 -1.652952 -0.361134
C 1.696072 -3.328302 -0.010469
C -2.722851 2.791596 -1.161075
C -0.790455 1.414725 -0.475255
C -4.271914 -1.728973 0.447228
C -6.632502 -0.240767 -0.292697
C -1.329481 2.622015 -0.992078
C 4.023389 -2.731189 -0.689663
C -5.558164 -2.299617 0.558830
C -6.721379 -1.563822 0.194589
C 4.872823 -1.507940 -1.055523
C 4.571548 0.667011 0.086201
C 3.591200 1.114982 1.025761
C 5.106456 1.571913 -0.854583
C 3.189787 2.473379 1.017424
C 4.692021 2.924821 -0.869621
C 3.741630 3.373804 0.072467
C 1.983728 0.531552 2.785059
H 0.575059 -2.273747 1.541977
H -5.596913 2.322665 -1.187166
H -0.737626 -2.116252 -1.205678
H 0.623841 -1.007044 -0.724408
H 1.482860 -3.810419 -0.985837
H 2.017662 -4.148299 0.687361
H -3.122060 3.729649 -1.559062
H -3.372080 -2.286387 0.725480
H -7.533372 0.317189 -0.571352
H -0.648202 3.440907 -1.257308
H 2.820049 -1.658274 0.618341
H 3.884528 -3.345026 -1.603375
H 4.586352 -3.360021 0.043700
H -5.666144 -3.324249 0.930854
H -7.707444 -2.032435 0.293109
H 5.892230 -1.804983 -1.365459
H 4.380081 -0.925548 -1.856190
H -0.332633 -4.461726 1.327608
H 1.132246 2.017412 -0.505374
H 5.862539 1.213750 -1.562258
H 2.455443 2.834568 1.743326
H 5.119928 3.619136 -1.600024
H 3.431621 4.424629 0.085110
H 1.736918 -0.381486 3.346860
H 1.108644 0.864633 2.198828
H 2.314097 1.318627 3.489462


