%chk=000049616.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049616

0 1
 O  -0.8565000      0.5545000      -2.330000    
 N   -3.927700     -0.3371000       1.016200    
 C   0.3254000     -6.4000003E-02 -0.2444000    
 C   -1.030000     -5.4600000E-02  0.5725000    
 C   1.6100001E-02 -0.4284000      -1.760800    
 C   0.9317000       1.363400     -5.2700002E-02
 C    1.327800      -1.128800      0.3102000    
 C   -2.063600       1.011900      0.1638000    
 C  -0.6170000      -1.817800      -1.988800    
 C   -3.283000      0.9689000       1.088100    
 C    1.214900       1.757900       1.218500    
 C    2.563300      -1.178600     -0.2563000    
 C    1.135000       2.113000      -1.170000    
 C   0.8935000      -1.929400       1.320300    
 C  -0.9403000      -2.086800      -3.455600    
 C    1.756300       3.032000       1.389800    
 C    3.457400      -2.128100      0.2385000    
 C    1.676500       3.387000     -0.9986000    
 C    1.787700      -2.878700       1.815200    
 C    1.987200       3.846500      0.2814000    
 C    3.069700      -2.978000       1.274200    
 C   -5.074900     -0.3963000       1.923600    
 C   -4.349500     -0.6287000     -0.3550000    
 H   -1.505400      -1.037600      0.4916000    
 H  -0.8384000      9.1899998E-02   1.644100    
 H   0.9451000     -0.3970000      -2.345100    
 H   -1.627400       2.012500      0.2604000    
 H   -2.399000      0.9336000     -0.8672000    
 H   -1.553800      -1.918400      -1.435800    
 H   5.8100000E-02  -2.603300      -1.633400    
 H   -2.955500       1.169900       2.116000    
 H   -3.975900       1.773700      0.8095000    
 H    1.058000       1.136800       2.092700    
 H    2.880500     -0.5228000      -1.059100    
 H   0.9823000       1.808400      -2.193400    
 H  -8.3700001E-02  -1.911500       1.780500    
 H  -0.7807000      0.4976000      -3.297300    
 H   -1.285800      -3.118600      -3.578400    
 H  -5.5399999E-02  -1.949300      -4.084800    
 H   -1.735300      -1.429300      -3.820300    
 H    2.002200       3.388300       2.385900    
 H    4.455900      -2.204900     -0.1820000    
 H    1.870600       4.016900      -1.862200    
 H    1.486500      -3.542200       2.620700    
 H    2.412800       4.836700      0.4144000    
 H    3.765900      -3.717400       1.659300    
 H   -5.524600      -1.395400       1.912200    
 H   -4.758700     -0.2084000       2.955800    
 H   -5.848400      0.3344000       1.660900    
 H   -3.509400     -0.8241000      -1.024700    
 H   -4.944700      -1.550000     -0.3783000    
 H   -4.966000      0.1721000     -0.7799000    


%chk=000049616-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049616

0 1
O -1.119041 0.356618 -2.251410
N -4.093236 -0.233362 0.791075
C 0.233949 -0.052677 -0.196801
C -1.063409 -0.037597 0.686332
C -0.064951 -0.516693 -1.676606
C 0.888934 1.354422 -0.140520
C 1.264200 -1.089800 0.344146
C -2.002149 1.179717 0.524117
C -0.483468 -1.999938 -1.828714
C -3.341633 0.960979 1.260337
C 1.462435 1.781162 1.089166
C 2.604001 -1.049891 -0.130047
C 0.922795 2.253644 -1.235586
C 0.913717 -2.121636 1.251682
C -0.753299 -2.402761 -3.297034
C 2.050308 3.055731 1.222188
C 3.558296 -2.001753 0.286745
C 1.520833 3.530246 -1.108703
C 1.868650 -3.073667 1.678830
C 2.086198 3.940427 0.118188
C 3.195460 -3.021919 1.197283
C -5.236403 -0.538912 1.673804
C -4.506458 -0.135349 -0.624423
H -1.660005 -0.949740 0.499161
H -0.752199 -0.082914 1.749995
H 0.870747 -0.363367 -2.263152
H -1.526784 2.085492 0.947188
H -2.171221 1.386403 -0.544317
H -1.386785 -2.193815 -1.219499
H 0.321626 -2.639914 -1.429024
H -3.145315 0.817470 2.342479
H -3.962911 1.891012 1.162854
H 1.459350 1.098157 1.947349
H 2.906433 -0.248255 -0.814199
H 0.449040 1.970238 -2.179106
H -0.109544 -2.194485 1.631573
H -1.346253 0.006042 -3.149840
H -0.927509 -3.490933 -3.370995
H 0.109227 -2.158526 -3.947158
H -1.656234 -1.915560 -3.716797
H 2.485225 3.356705 2.182447
H 4.585258 -1.943594 -0.092149
H 1.534459 4.207432 -1.971022
H 1.571992 -3.857535 2.385478
H 2.545500 4.930825 0.215470
H 3.935396 -3.759619 1.527704
H -5.724461 -1.474402 1.344310
H -4.879589 -0.683947 2.709591
H -6.014924 0.267708 1.687908
H -3.619533 -0.027245 -1.271473
H -5.037305 -1.060082 -0.916213
H -5.189611 0.731857 -0.820413


