%chk=000125249.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125249

0 1
 O   -5.134000      0.9546000     -0.6607000    
 O    1.094000       2.340500      0.3904000    
 O    3.666000       1.771300     -0.1163000    
 O    4.488300     -0.8310000     -0.5228000    
 N   -1.465600      -2.079900      0.4526000    
 C   -1.037400      0.2298000      0.4657000    
 C   -1.848100     -0.8505000     -0.2840000    
 C   -1.279700     -0.1701000       1.934400    
 C   -1.520600       1.652700      0.1224000    
 C   -3.368200     -0.6369000     -0.2637000    
 C   -1.473900      -1.691000       1.884300    
 C   0.4583000      1.0000000E-03  0.1779000    
 C   -3.039600       1.820600      0.1100000    
 C   -3.726100      0.7641000     -0.7483000    
 C  -9.8899998E-02  -2.468600      2.7899999E-02
 C   0.9001000      -1.329700     -6.6000000E-03
 C    1.403400       1.035500      0.1482000    
 C    2.253000      -1.596700     -0.2491000    
 C    2.751500      0.7581000     -8.9100003E-02
 C    3.174900     -0.5536000     -0.2904000    
 C   -5.837000     -1.5000000E-03  -1.441000    
 C    4.720100       1.714900      0.8407000    
 C    4.919300     -0.8339000      -1.882400    
 H   -1.550800     -0.9142000      -1.341400    
 H   -2.185400      0.2938000       2.340100    
 H  -0.4487000      0.1064000       2.593600    
 H   -1.149000       1.942900     -0.8694000    
 H   -1.140900       2.377800      0.8503000    
 H   -3.816200      -1.411900     -0.8964000    
 H   -3.798500     -0.7928000      0.7339000    
 H  -0.7157000      -2.219100       2.474400    
 H   -2.443300      -1.954500       2.323400    
 H   -3.437200       1.785100       1.132000    
 H   -3.297300       2.820300     -0.2621000    
 H   -3.413600      0.8974000      -1.792500    
 H  -0.1655000      -2.892800     -0.9824000    
 H   0.2717000      -3.270900      0.6782000    
 H    2.585600      -2.620400     -0.4027000    
 H    1.901000       2.879700      0.3260000    
 H   -5.374900     -0.1524000      -2.422100    
 H   -6.849000      0.3826000      -1.602400    
 H   -5.936900     -0.9484000     -0.9028000    
 H    5.616400       1.282700      0.3872000    
 H    4.438000       1.153400       1.738300    
 H    4.956000       2.739900       1.141900    
 H    5.989600      -1.056700      -1.901700    
 H    4.757800      0.1469000      -2.340700    
 H    4.390400      -1.605800      -2.450100    


%chk=000125249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125249

0 1
O -5.229363 0.942727 -0.647575
O 1.187817 2.288176 0.432599
O 3.720466 1.724050 -0.113611
O 4.546813 -1.062603 -0.681411
N -1.474101 -2.138088 0.579324
C -1.045746 0.226465 0.460719
C -1.878656 -0.928553 -0.207777
C -1.280862 -0.089967 1.979565
C -1.535693 1.625422 -0.003744
C -3.403419 -0.707028 -0.151133
C -1.453806 -1.654173 2.011780
C 0.448809 -0.056249 0.161864
C -3.074422 1.785465 0.025506
C -3.783918 0.664137 -0.743523
C -0.129300 -2.559129 0.105066
C 0.880403 -1.407109 -0.025792
C 1.461965 0.941271 0.144217
C 2.225008 -1.721848 -0.328042
C 2.819549 0.617655 -0.126218
C 3.201729 -0.711801 -0.408526
C -6.048842 0.118013 -1.532501
C 4.782648 1.632411 0.923374
C 5.088528 -0.472988 -1.927838
H -1.575015 -1.065211 -1.264318
H -2.190951 0.416272 2.348724
H -0.433344 0.250846 2.597254
H -1.172768 1.797313 -1.037497
H -1.070461 2.413375 0.608782
H -3.888655 -1.539814 -0.692534
H -3.764870 -0.744612 0.893893
H -0.636930 -2.157138 2.558075
H -2.404256 -1.932909 2.500394
H -3.455731 1.781943 1.065246
H -3.352851 2.762470 -0.410472
H -3.483095 0.697318 -1.819681
H -0.252175 -3.063334 -0.874497
H 0.267863 -3.321685 0.801002
H 2.534084 -2.758923 -0.499112
H 2.052358 2.777857 0.317310
H -5.693912 0.176609 -2.584799
H -7.070368 0.526790 -1.470059
H -6.066547 -0.946963 -1.222013
H 5.386358 0.722454 0.765971
H 4.331188 1.612859 1.932888
H 5.398122 2.535947 0.796253
H 6.137153 -0.803888 -1.977430
H 5.031826 0.630761 -1.903683
H 4.530767 -0.855892 -2.803319


