%chk=000048617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048617

0 1
 O    5.020900      0.2954000      5.7300001E-02
 O   -5.020700     -0.2248000      0.1985000    
 O    5.673500       1.594000      -1.727900    
 O   -5.670800      -2.248400     -0.6857000    
 N    1.425800      0.4797000      0.8449000    
 N   -1.425700      1.9200001E-02  0.9700000    
 C   0.7309000      0.3443000       2.131000    
 C   0.7309000     -0.2868000     -0.1967000    
 C  -0.7313000      0.7875000       2.010500    
 C  -0.7315000      0.1554000     -0.3163000    
 C    2.819200      5.4099999E-02  0.9604000    
 C   -2.819700      0.4429000      0.8551000    
 C    3.674900      0.7237000     -0.1029000    
 C   -3.674000     -0.6735000      0.2762000    
 C    5.921300      0.8094000     -0.8255000    
 C   -5.920000      -1.115600     -0.3034000    
 C    7.283600      0.2851000     -0.5534000    
 C   -7.283000     -0.5276000     -0.3330000    
 C    8.357000      0.6875000      -1.348100    
 C   -8.355700      -1.277800     -0.8151000    
 C    7.489900     -0.6097000      0.4965000    
 C   -7.491200      0.7749000      0.1209000    
 C    9.843000     -0.7001000     -4.3000001E-02
 C   -9.844200      0.5768000     -0.3895000    
 C    9.636800      0.1949000      -1.093000    
 C   -9.636200     -0.7257000     -0.8434000    
 C    8.769700      -1.102400      0.7517000    
 C   -8.771700       1.327000      9.2500001E-02
 C    11.21160      -1.225300      0.2301000    
 C   -11.21360       1.166200     -0.4189000    
 H    1.216200      0.9754000       2.885500    
 H   0.7761000     -0.6922000       2.492000    
 H   0.7699000      -1.363900      1.6700000E-02
 H    1.205000     -0.1322000      -1.172100    
 H   -1.216600      0.6251000       2.980700    
 H  -0.7767000       1.864100       1.797100    
 H  -0.7706000       1.192900     -0.6757000    
 H   -1.205700     -0.4704000      -1.080300    
 H    2.929300      -1.037900      0.9256000    
 H    3.233300      0.3531000       1.933400    
 H   -2.931200       1.367500      0.2733000    
 H   -3.233800      0.6759000       1.846000    
 H    3.626800       1.814500      4.6000001E-03
 H    3.339900      0.4514000      -1.109600    
 H   -3.339000     -0.9467000     -0.7303000    
 H   -3.624500      -1.560400      0.9201000    
 H    8.217300       1.384100      -2.170500    
 H   -8.214700      -2.294300      -1.172800    
 H    6.683400     -0.9490000       1.140300    
 H   -6.685400       1.394100      0.5047000    
 H    10.46560      0.5173000      -1.717700    
 H   -10.46420      -1.320800      -1.219400    
 H    8.918700      -1.797500       1.573800    
 H   -8.922000       2.342100      0.4506000    
 H    11.17040      -2.231500      0.6609000    
 H    11.73450     -0.5657000      0.9297000    
 H    11.79890      -1.296000     -0.6918000    
 H   -11.73570      0.9503000      0.5185000    
 H   -11.17380       2.252100     -0.5562000    
 H   -11.80080      0.7601000      -1.249600    


%chk=000048617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048617

0 1
O 5.096913 0.255523 0.162966
O -5.102754 -0.169504 0.265733
O 5.667777 1.437108 -1.763034
O -5.701631 -2.134508 -0.835557
N 1.441185 0.379246 0.953123
N -1.445708 0.087632 1.023664
C 0.705132 0.312112 2.239814
C 0.720818 -0.395302 -0.088951
C -0.721133 0.858858 2.064727
C -0.707264 0.144510 -0.264387
C 2.870818 0.010637 1.071815
C -2.867808 0.482853 0.897974
C 3.692555 0.717514 -0.013237
C -3.705464 -0.676905 0.345398
C 6.009543 0.702419 -0.801911
C -6.026703 -1.017627 -0.359080
C 7.389455 0.206894 -0.543919
C -7.396969 -0.435924 -0.381148
C 8.417352 0.581994 -1.447386
C -8.434884 -1.185158 -0.993348
C 7.705221 -0.622241 0.563266
C -7.693664 0.831972 0.182435
C 10.067289 -0.692352 -0.137562
C -10.057204 0.592683 -0.474464
C 9.736693 0.135128 -1.244422
C -9.745586 -0.673405 -1.039050
C 9.028988 -1.064235 0.757593
C -9.008843 1.335094 0.131820
C 11.496390 -1.146323 0.095437
C -11.477600 1.126289 -0.496729
H 1.240886 0.924744 2.988373
H 0.641200 -0.736214 2.626166
H 0.667200 -1.480555 0.178876
H 1.258997 -0.307224 -1.049897
H -1.267981 0.764295 3.021163
H -0.655931 1.945202 1.804287
H -0.652193 1.193112 -0.651779
H -1.234492 -0.470270 -1.015887
H 3.038407 -1.091648 1.006573
H 3.240585 0.337258 2.060842
H -3.008399 1.382515 0.250671
H -3.251578 0.741340 1.901790
H 3.650146 1.814131 0.103377
H 3.360517 0.465400 -1.036049
H -3.386830 -1.001083 -0.661119
H -3.671593 -1.550757 1.018817
H 8.158044 1.219047 -2.299572
H -8.190167 -2.160248 -1.427638
H 6.910580 -0.913648 1.255687
H -6.891084 1.409371 0.649657
H 10.522661 0.428129 -1.950657
H -10.539616 -1.258492 -1.518143
H 9.264131 -1.707951 1.613686
H -9.229239 2.317709 0.566012
H 11.534175 -2.104014 0.643250
H 12.052738 -0.401271 0.697307
H 12.042989 -1.271485 -0.855648
H -12.037730 0.790859 0.398039
H -11.497119 2.230093 -0.500485
H -12.031919 0.768476 -1.381981


