%chk=000018413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018413

1 1
 O    3.459900      -1.279000      0.7381000    
 N   -4.613200      0.5554000     -0.2417000    
 C   -1.960300     -4.7400001E-02  8.0899999E-02
 C   -2.893000      -1.079400     -8.0399998E-02
 C   -2.373800       1.290500      7.8400001E-02
 C   -4.251900     -0.7414000     -0.2446000    
 C   -3.744900       1.572700     -8.9400001E-02
 C  -0.5465000     -0.3688000      0.2524000    
 C    6.740000      2.4800001E-02 -0.5653000    
 C    5.723500     -0.5461000      0.4222000    
 C    8.131200      0.2275000      4.1600000E-02
 C   -2.525400      -2.434500     -8.4700003E-02
 C   -1.475700       2.358000      0.2365000    
 C   -5.214200      -1.743700     -0.4086000    
 C   -4.197900       2.896300     -9.7499996E-02
 C   -6.044700      0.8808000     -0.4167000    
 C    4.366200     -0.7607000     -0.2345000    
 C    9.142000      0.8219000     -0.9400000    
 C   0.2713000     -0.4730000     -0.8643000    
 C  -3.9900001E-02 -0.5654000       1.529700    
 C   -3.491300      -3.429300     -0.2489000    
 C   -1.934900       3.676600      0.2273000    
 C    2.142100     -0.9795000      0.5784000    
 C   -4.832200      -3.084400     -0.4104000    
 C   -3.292500       3.944700      6.0699999E-02
 C    1.622100     -0.7800000     -0.7005000    
 C    1.310900     -0.8724000       1.693500    
 C    10.52300      0.9357000     -0.3121000    
 H    6.822800     -0.6468000      -1.428900    
 H    6.373100      0.9859000     -0.9463000    
 H    5.612800      0.1265000       1.281800    
 H    6.084900      -1.498100      0.8302000    
 H    8.049800      0.8839000      0.9169000    
 H    8.503300     -0.7386000      0.4048000    
 H   -1.496300      -2.760900      3.7599999E-02
 H  -0.4079000       2.207900      0.3705000    
 H   -6.280900      -1.577800     -0.4878000    
 H   -5.234200       3.201000     -0.1676000    
 H   -6.191400       1.807500     -0.9705000    
 H   -6.549600      0.1770000      -1.077400    
 H   -6.513300      0.9189000      0.5696000    
 H    4.025500      0.2064000     -0.6268000    
 H    4.454700      -1.478700      -1.058000    
 H    9.205100      0.1918000      -1.834600    
 H    8.805800       1.813700      -1.263500    
 H  -0.1216000     -0.3258000      -1.867200    
 H  -0.6755000     -0.4850000       2.407900    
 H   -3.197500      -4.475200     -0.2481000    
 H   -1.232600       4.495800      0.3532000    
 H   -5.580700      -3.863200     -0.5260000    
 H   -3.645500       4.972000      6.6200003E-02
 H    2.227600     -0.8814000      -1.596200    
 H    1.710300      -1.026600       2.692200    
 H    11.23040       1.365000      -1.028600    
 H    10.50000       1.581600      0.5714000    
 H    10.89950     -4.6900000E-02 -1.0500000E-02


%chk=000018413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018413

1 1
O 3.566280 0.403622 0.869069
N -4.925332 0.245011 -0.343550
C -2.094137 0.268968 0.137255
C -2.766177 -0.941647 -0.259515
C -2.892728 1.442723 0.378779
C -4.196133 -0.940118 -0.505122
C -4.330851 1.398250 0.185434
C -0.625542 0.293447 0.305468
C 7.025692 -0.268183 -0.625844
C 5.934952 0.140430 0.393154
C 8.453020 -0.139309 -0.046280
C -2.064590 -2.193271 -0.362862
C -2.305161 2.699828 0.759535
C -4.846148 -2.154719 -0.881459
C -5.119490 2.543727 0.512129
C -6.354931 0.282534 -0.754547
C 4.531817 -0.013624 -0.190116
C 9.554015 -0.542333 -1.053518
C 0.235769 -0.130385 -0.748895
C -0.023611 0.738184 1.525365
C -2.714584 -3.366422 -0.737971
C -3.087494 3.818314 1.035274
C 2.212704 0.340776 0.611378
C -4.115073 -3.340138 -1.005513
C -4.507872 3.724400 0.943863
C 1.634556 -0.090427 -0.616300
C 1.366316 0.743728 1.684252
C 10.975964 -0.420049 -0.464969
H 6.860680 -1.316281 -0.952619
H 6.944711 0.362218 -1.535878
H 6.084877 1.191553 0.704326
H 6.018328 -0.482714 1.303563
H 8.624025 0.906373 0.283442
H 8.539733 -0.771099 0.861830
H -1.002844 -2.216383 -0.107599
H -1.217014 2.772262 0.814827
H -5.925438 -2.190888 -1.036221
H -6.208908 2.508523 0.460552
H -6.619852 1.298687 -1.074363
H -6.505537 -0.375231 -1.620979
H -7.018622 -0.032511 0.069349
H 4.388533 0.635566 -1.077347
H 4.323028 -1.066591 -0.467123
H 9.379999 -1.585767 -1.387258
H 9.471447 0.092695 -1.959073
H -0.196602 -0.445439 -1.705030
H -0.657853 1.024286 2.371140
H -2.163313 -4.308810 -0.800684
H -2.618749 4.764181 1.320816
H -4.634462 -4.263895 -1.279763
H -5.129184 4.588499 1.200004
H 2.261733 -0.385630 -1.461308
H 1.829335 1.046534 2.627620
H 11.744131 -0.712675 -1.203283
H 11.188991 0.619037 -0.151054
H 11.096097 -1.070017 0.422017


