%chk=000065996.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065996

0 1
 O    2.439900       2.160100       1.185600    
 N   -1.639400       1.104200      0.4291000    
 N    3.217300       1.396900     -0.8677000    
 C    1.291800      0.3041000      0.2463000    
 C   0.3744000      0.6585000     -0.9575000    
 C   0.4857000      0.4014000       1.571200    
 C   -1.089700      0.3095000     -0.6773000    
 C  -0.6626000       1.410600       1.480800    
 C    1.962100      -1.076400      0.1972000    
 C    2.365800       1.373900      0.2376000    
 C   -2.847200      0.4806000      0.9634000    
 C   -3.993400      0.6086000     -3.9299998E-02
 C    3.225100      -1.258900      0.7609000    
 C    1.308100      -2.148300     -0.4103000    
 C   -5.298100     -2.9600000E-02  0.4480000    
 C    4.294600       2.373900      -1.003800    
 C   -6.441200      7.3700003E-02 -0.5642000    
 C    3.093800      0.4476000      -1.966500    
 C    3.834000      -2.513000      0.7166000    
 C    1.917100      -3.402500     -0.4544000    
 C    3.180100      -3.584700      0.1091000    
 C   -7.735500     -0.5129000      1.1000000E-03
 C    5.585000       1.865400     -0.3949000    
 C   -8.867900     -0.4425000      -1.011200    
 H   0.4247000       1.731300      -1.195400    
 H   0.6227000      0.1368000      -1.884400    
 H   4.5899998E-02 -0.5763000       1.817700    
 H    1.126900      0.6428000       2.428600    
 H   -1.201400     -0.7600000     -0.4791000    
 H   -1.659300      0.5250000      -1.588900    
 H  -0.2486000       2.404000       1.267800    
 H   -1.138400       1.507500       2.464500    
 H   -2.676900     -0.5675000       1.240000    
 H   -3.166700      0.9990000       1.876800    
 H   -4.174100       1.668900     -0.2589000    
 H   -3.732200      0.1280000     -0.9890000    
 H    3.753500     -0.4587000       1.270500    
 H   0.3339000      -2.056500     -0.8705000    
 H   -5.117000      -1.086600      0.6803000    
 H   -5.600100      0.4533000       1.385800    
 H    3.996800       3.292400     -0.4857000    
 H    4.428700       2.620800      -2.062600    
 H   -6.601100       1.125200     -0.8314000    
 H   -6.163500     -0.4552000      -1.483900    
 H    2.740800       1.011700      -2.837900    
 H    2.484500     -0.4343000      -1.890700    
 H    4.100500      8.5299999E-02  -2.206700    
 H    4.814500      -2.657000       1.161200    
 H    1.409500      -4.237100     -0.9293000    
 H    3.653800      -4.561500      7.5700000E-02
 H   -8.027200      3.1599998E-02  0.9067000    
 H   -7.576000      -1.558800      0.2882000    
 H    5.457000       1.640000      0.6690000    
 H    5.926400      0.9502000     -0.8890000    
 H    6.373700       2.618000     -0.4909000    
 H   -9.074100      0.5938000      -1.297300    
 H   -9.783100     -0.8662000     -0.5861000    
 H   -8.620700      -1.006500      -1.916200    


%chk=000065996-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065996

0 1
O 2.592462 2.024370 1.210976
N -1.616592 0.987934 0.300865
N 3.280307 1.503694 -0.927449
C 1.362881 0.169951 0.116730
C 0.390785 0.465125 -1.083458
C 0.523805 0.251923 1.442763
C -1.076585 0.110463 -0.770473
C -0.579689 1.326646 1.331211
C 2.030095 -1.223673 0.088562
C 2.463091 1.288190 0.175954
C -2.885222 0.468664 0.865101
C -4.049190 0.474430 -0.149380
C 3.135076 -1.472542 0.948215
C 1.534410 -2.300814 -0.691114
C -5.396645 0.095526 0.505769
C 4.243668 2.634398 -0.857677
C -6.576477 0.070964 -0.491880
C 3.357543 0.675968 -2.142772
C 3.734537 -2.747989 1.014353
C 2.130409 -3.581782 -0.623214
C 3.234403 -3.812102 0.227451
C -7.926621 -0.290111 0.169119
C 5.599948 2.220716 -0.248834
C -9.103076 -0.307583 -0.830609
H 0.424424 1.545757 -1.319732
H 0.707230 -0.066028 -1.998167
H 0.066332 -0.736713 1.637728
H 1.199806 0.490661 2.280779
H -1.151373 -0.972387 -0.483827
H -1.683249 0.238493 -1.687198
H -0.107554 2.298141 1.091594
H -1.084081 1.449546 2.307344
H -2.768431 -0.573900 1.270350
H -3.165246 1.117397 1.717341
H -4.115101 1.486149 -0.596432
H -3.840819 -0.231171 -0.978605
H 3.522914 -0.656733 1.570713
H 0.676805 -2.151981 -1.355591
H -5.306960 -0.900091 0.989777
H -5.623212 0.816726 1.319173
H 3.787713 3.424581 -0.238888
H 4.377567 3.023403 -1.885071
H -6.663306 1.062842 -0.982800
H -6.359932 -0.657851 -1.301194
H 2.813461 1.141181 -2.988426
H 2.958115 -0.332283 -1.966651
H 4.417883 0.563422 -2.435255
H 4.588853 -2.913203 1.680790
H 1.729290 -4.399198 -1.233685
H 3.696782 -4.804150 0.278784
H -8.139600 0.436717 0.979641
H -7.838521 -1.282236 0.657581
H 5.457369 1.889964 0.793617
H 6.070142 1.398626 -0.819811
H 6.297719 3.078284 -0.248560
H -9.230426 0.682095 -1.308814
H -10.055584 -0.567497 -0.332941
H -8.929133 -1.047330 -1.635074


