%chk=000046460.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046460

0 1
 O   -3.529000       2.097900      0.3355000    
 O    2.119200     -6.3500002E-02  -1.551500    
 N   0.5453000      -2.269300     -0.6381000    
 C  -0.3107000      -1.679700      0.3971000    
 C   -1.545700      -2.586300      0.5245000    
 C  -0.6655000     -0.2212000      0.1480000    
 C   -2.587800      -1.951300       1.434200    
 C   -3.090500     -0.6520000      0.8150000    
 C   -1.972200      0.2595000      0.3746000    
 C   0.3303000      0.6970000     -0.2328000    
 C   -2.265400       1.615300      0.1515000    
 C   2.8600000E-02   2.044200     -0.4383000    
 C    1.721000      0.2944000     -0.4284000    
 C   -1.270500       2.501900     -0.2534000    
 C  -0.1211000      -2.213400      -1.936000    
 C   0.8830000      -3.646600     -0.2896000    
 C    2.699700      0.3383000      0.7579000    
 C    4.152900      0.6636000      0.3698000    
 C    4.213800       2.013800     -0.3477000    
 C    5.067000      0.6901000       1.597600    
 C   -4.402400       2.067300     -0.7901000    
 H   0.2235000      -1.691700       1.358300    
 H   -1.288900      -3.551400      0.9761000    
 H   -2.053200      -2.793800     -0.4223000    
 H   -2.150100      -1.755800       2.421300    
 H   -3.429100      -2.637200       1.585600    
 H   -3.726900     -0.1496000       1.552900    
 H   -3.710300     -0.8877000     -5.8499999E-02
 H   0.8013000       2.746600     -0.7410000    
 H   -1.500000       3.551100     -0.4176000    
 H  -0.5015000      -1.222800      -2.203400    
 H  -0.9271000      -2.941700      -2.071000    
 H   0.6203000      -2.449900      -2.710300    
 H    1.704800      -3.981800     -0.9341000    
 H   6.9600001E-02  -4.366900     -0.4295000    
 H    1.258400      -3.722300      0.7374000    
 H    2.659500     -0.6433000       1.244600    
 H    2.335200       1.078900       1.480300    
 H    4.521500     -0.1075000     -0.3181000    
 H    3.803000       2.814600      0.2773000    
 H    5.250600       2.275400     -0.5865000    
 H    3.661100       2.004000      -1.291500    
 H    4.752900       1.459900       2.310700    
 H    6.102800      0.8963000       1.308200    
 H    5.048600     -0.2763000       2.112300    
 H   -4.053700       2.765800      -1.557300    
 H   -5.396800       2.380500     -0.4603000    
 H   -4.475800       1.060000      -1.210800    


%chk=000046460-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046460

0 1
O -4.124863 1.504228 0.011067
O 1.998034 0.582967 -1.903541
N 0.863825 -1.882005 -0.460604
C -0.259262 -1.565700 0.465320
C -1.347576 -2.662044 0.602503
C -0.858775 -0.212193 0.064470
C -2.482449 -2.146876 1.512767
C -3.199681 -0.944718 0.861401
C -2.236916 0.060876 0.243117
C 0.001446 0.748958 -0.541446
C -2.744954 1.316696 -0.202815
C -0.539344 1.968489 -0.999427
C 1.491534 0.515853 -0.738480
C -1.908098 2.268405 -0.826052
C 0.498816 -2.164861 -1.863079
C 1.855580 -2.831586 0.073199
C 2.360842 0.583751 0.529312
C 3.862284 0.264355 0.319410
C 4.602895 1.442389 -0.357968
C 4.532078 -0.104300 1.664555
C -4.713861 2.768630 -0.433509
H 0.209675 -1.452075 1.468252
H -0.899170 -3.584458 1.017837
H -1.760708 -2.910897 -0.394846
H -2.055050 -1.845714 2.491017
H -3.214597 -2.950514 1.717366
H -3.843507 -0.427011 1.596453
H -3.893161 -1.303265 0.072896
H 0.118263 2.685942 -1.501764
H -2.301742 3.224485 -1.182716
H -0.278676 -1.458994 -2.196832
H 0.131426 -3.204581 -2.017185
H 1.385540 -1.999106 -2.501084
H 2.735964 -2.850551 -0.593880
H 1.469499 -3.874701 0.157476
H 2.189407 -2.505895 1.075135
H 1.922051 -0.072201 1.305417
H 2.257003 1.617592 0.930272
H 3.924832 -0.607286 -0.362546
H 4.572477 2.344421 0.285411
H 5.665768 1.191009 -0.535481
H 4.134287 1.681766 -1.326644
H 4.460295 0.735023 2.383898
H 5.605543 -0.331127 1.522723
H 4.056672 -0.989280 2.130605
H -4.253667 3.632263 0.085003
H -5.778652 2.699609 -0.165788
H -4.611631 2.897632 -1.528598


