%chk=000052495.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052495

0 1
 O    1.008400     -0.8840000      0.8456000    
 O   0.2546000     -0.5587000      -1.313700    
 N    4.478600     -0.4035000     -0.3296000    
 C   -1.213700     -0.1898000      0.5662000    
 C   -2.301300      -1.167700      0.1745000    
 C   -1.557100       1.256800      0.2794000    
 C   -4.023500      0.6817000      0.3536000    
 C    3.182200     -1.7500000E-02  0.2251000    
 C   -3.639900     -0.7498000      7.3200002E-02
 C   -2.897300       1.669700      0.1782000    
 C    2.296100      -1.257900      0.3454000    
 C   8.3800003E-02 -0.5588000     -0.1021000    
 C   -1.980500      -2.514000     -5.9799999E-02
 C  -0.5320000       2.206300      0.1444000    
 C    5.169100      -1.321900      0.5754000    
 C    5.300300      0.7799000     -0.5812000    
 C    3.374000      0.6768000       1.573800    
 C   -4.634300      -1.685800     -0.2459000    
 C   -3.189200       3.023700     -4.1600000E-02
 C   -2.976000      -3.433000     -0.3900000    
 C  -0.8342000       3.547700     -8.7899998E-02
 C   -4.302100      -3.019500     -0.4814000    
 C   -2.161800       3.956300     -0.1793000    
 C    6.489200      -1.785300     -5.5000000E-03
 C    4.606700       1.748300      -1.517000    
 H   -1.093700     -0.2735000       1.655900    
 H    2.648900      0.6673000     -0.4416000    
 H   -4.839300      0.9615000     -0.3253000    
 H   -4.394500      0.7509000       1.383400    
 H    2.210600      -1.797300     -0.6065000    
 H    2.665900      -1.973600       1.084100    
 H    5.388200     -0.8916000       1.558000    
 H    4.596800      -2.239500      0.7322000    
 H    5.651200       1.291100      0.3217000    
 H    6.205600      0.4770000      -1.120500    
 H  -0.9616000      -2.880400      3.1900000E-02
 H   0.5144000       1.932000      0.2401000    
 H    4.017300       1.559000       1.540100    
 H    3.722300      9.3999999E-03   2.367800    
 H    2.402600       1.052600       1.920700    
 H   -5.675200      -1.378900     -0.3124000    
 H   -4.221500       3.358600     -0.1067000    
 H   -2.718200      -4.473300     -0.5656000    
 H  -3.3799998E-02   4.275200     -0.1870000    
 H   -5.078900      -3.736300     -0.7310000    
 H   -2.397800       5.002200     -0.3526000    
 H    6.378400      -2.132900      -1.038500    
 H    7.258700      -1.007600      2.6000001E-02
 H    6.874900      -2.627600      0.5805000    
 H    4.169600       1.239500      -2.383300    
 H    3.828900       2.333600      -1.016900    
 H    5.335800       2.470400      -1.902800    


%chk=000052495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052495

0 1
O 1.034923 -0.908418 0.886137
O 0.513008 -0.427904 -1.335430
N 4.677995 -0.302087 -0.000044
C -1.222045 -0.255989 0.440659
C -2.336973 -1.108874 -0.188160
C -1.606079 1.234479 0.395067
C -3.884296 0.410912 1.111439
C 3.287809 0.101825 0.356227
C -3.668839 -0.777092 0.182658
C -2.941305 1.554491 0.762863
C 2.451677 -1.192365 0.491616
C 0.162757 -0.527323 -0.137808
C -2.102838 -2.197569 -1.057867
C -0.709606 2.268946 0.045023
C 5.535761 -0.737811 1.132869
C 5.341317 0.635356 -0.945244
C 3.162027 1.035607 1.588576
C -4.745649 -1.540460 -0.320804
C -3.356943 2.904658 0.779112
C -3.184650 -2.963078 -1.549943
C -1.129658 3.618377 0.070878
C -4.508819 -2.636787 -1.180943
C -2.454719 3.939090 0.441204
C 6.594239 -1.774232 0.705725
C 4.871326 0.446316 -2.401516
H -1.161840 -0.538894 1.513304
H 2.887623 0.641614 -0.521779
H -4.936112 0.745789 1.085107
H -3.685414 0.088363 2.158445
H 2.461145 -1.735432 -0.468016
H 2.818448 -1.837554 1.306467
H 6.040126 0.126091 1.631973
H 4.887910 -1.200520 1.900633
H 5.191805 1.699553 -0.636354
H 6.430042 0.450288 -0.898127
H -1.082859 -2.442544 -1.370180
H 0.312327 2.029962 -0.268574
H 3.779969 1.941912 1.449113
H 3.487461 0.535844 2.518839
H 2.113997 1.352960 1.732141
H -5.772316 -1.275230 -0.040539
H -4.390743 3.146925 1.053660
H -2.993367 -3.804077 -2.225565
H -0.428102 4.413167 -0.205674
H -5.349577 -3.224274 -1.566275
H -2.785687 4.983413 0.456741
H 6.104361 -2.663051 0.271132
H 7.285971 -1.365549 -0.053179
H 7.200842 -2.089766 1.575582
H 5.101572 -0.577253 -2.744685
H 3.781305 0.597375 -2.504501
H 5.376392 1.168621 -3.070482


